N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylsulfonylethyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-mesylethyl)piperazino]methyl]-2-phenyl-cinchoninamide Formula: C32H42N4O3S MolecularWeight: 562.76588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)CCS(=O)(=O)C

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)CCS(=O)(=O)C

InChI

InChI=1S/C32H42N4O3S/c1-24(25-11-5-3-6-12-25)33-32(37)30-27-15-9-10-16-29(27)34-31(26-13-7-4-8-14-26)28(30)23-36-19-17-35(18-20-36)21-22-40(2,38)39/h4,7-10,13-16,24-25H,3,5-6,11-12,17-23H2,1-2H3,(H,33,37)/t24-/m0/s1