3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide

Systemtic Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide CAS Name: 3-[(4-methylsulfonyl-1-piperazinyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide IUPAC Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Traditional Name: 1-keto-3-[(4-mesylpiperazino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide Formula: C31H34N4O4S MolecularWeight: 558.69106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)S(=O)(=O)C

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)S(=O)(=O)C

InChI

InChI=1S/C31H34N4O4S/c1-3-27(23-12-6-4-7-13-23)32-30(36)29-25-16-10-11-17-26(25)31(37)35(24-14-8-5-9-15-24)28(29)22-33-18-20-34(21-19-33)40(2,38)39/h4-17,27H,3,18-22H2,1-2H3,(H,32,36)/t27-/m0/s1