N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-[(2-nitro-4-sulfamoyl-phenyl)amino]propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(2-nitro-4-sulfamoylanilino)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(2-nitro-4-sulfamoyl-anilino)propionamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H21N5O5S2/c20-12-14-3-1-2-4-15(14)13-30-10-9-23-19(25)7-8-22-17-6-5-16(31(21,28)29)11-18(17)24(26)27/h1-6,11,22H,7-10,13H2,(H,23,25)(H2,21,28,29)