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

Systemtic Name: N-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[2-oxo-2-(4-phenylpiperazin-1-yl)-1-[[4-(p-tolylsulfonylamino)phenyl]methyl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: 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]isoquinoline-5-sulfonamide Formula: C35H35N5O5S2 MolecularWeight: 669.8129

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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)NS(=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)NS(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C35H35N5O5S2/c1-26-10-16-31(17-11-26)46(42,43)37-29-14-12-27(13-15-29)24-33(35(41)40-22-20-39(21-23-40)30-7-3-2-4-8-30)38-47(44,45)34-9-5-6-28-25-36-19-18-32(28)34/h2-19,25,33,37-38H,20-24H2,1H3