3-[3-[6-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]methylamino]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: 3-[3-[6-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]methylamino]-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: 3-[3-[6-[[4-(guanidinomethyl)phenyl]methylamino]-1,3-dioxo-benzo[de]isoquinolin-2-yl]phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: 3-[3-[6-[[4-[(diaminomethylideneamino)methyl]phenyl]methylamino]-1,3-dioxo-2-benzo[de]isoquinolinyl]phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: 3-[3-[6-[[4-[(diaminomethylideneamino)methyl]phenyl]methylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-[3-[6-[[4-(guanidinomethyl)benzyl]amino]-1,3-diketo-benzo[de]isoquinolin-2-yl]phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]propionamide Formula: C38H37N7O5S MolecularWeight: 703.80928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)NCC5=CC=C(C=C5)CN=C(N)N)C=CC=C4C2=O)CCC(=O)NCCC6=CC=C(C=C6)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C4C(=C(C=C3)NCC5=CC=C(C=C5)CN=C(N)N)C=CC=C4C2=O)CCC(=O)NCCC6=CC=C(C=C6)S(=O)(=O)N

InChI

InChI=1S/C38H37N7O5S/c39-38(40)44-23-27-9-7-26(8-10-27)22-43-33-17-16-32-35-30(33)5-2-6-31(35)36(47)45(37(32)48)28-4-1-3-25(21-28)13-18-34(46)42-20-19-24-11-14-29(15-12-24)51(41,49)50/h1-12,14-17,21,43H,13,18-20,22-23H2,(H,42,46)(H4,39,40,44)(H2,41,49,50)