N-(2-azanylethyl)-7-[4-(methylsulfonylamino)phenyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(2-azanylethyl)-7-[4-(methylsulfonylamino)phenyl]isoquinoline-5-sulfonamide Openeye Name: N-(2-aminoethyl)-7-[4-(methanesulfonamido)phenyl]isoquinoline-5-sulfonamide CAS Name: N-(2-aminoethyl)-7-[4-(methanesulfonamido)phenyl]-5-isoquinolinesulfonamide IUPAC Name: N-(2-aminoethyl)-7-[4-(methanesulfonamido)phenyl]isoquinoline-5-sulfonamide Traditional Name: N-(2-aminoethyl)-7-[4-(methanesulfonamido)phenyl]isoquinoline-5-sulfonamide Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCN

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)NCCN

InChI

InChI=1S/C18H20N4O4S2/c1-27(23,24)22-16-4-2-13(3-5-16)14-10-15-12-20-8-6-17(15)18(11-14)28(25,26)21-9-7-19/h2-6,8,10-12,21-22H,7,9,19H2,1H3