N-methyl-N-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)-1-[[4-(p-tolylsulfonylamino)phenyl]methyl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-(4-phenylpiperazino)-1-[4-(tosylamino)benzyl]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C36H37N5O5S2 MolecularWeight: 683.83948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC(C(=O)N3CCN(CC3)C4=CC=CC=C4)N(C)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CC(C(=O)N3CCN(CC3)C4=CC=CC=C4)N(C)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C36H37N5O5S2/c1-27-11-17-32(18-12-27)47(43,44)38-30-15-13-28(14-16-30)25-34(36(42)41-23-21-40(22-24-41)31-8-4-3-5-9-31)39(2)48(45,46)35-10-6-7-29-26-37-20-19-33(29)35/h3-20,26,34,38H,21-25H2,1-2H3