N-[(1S)-1-cyclohexylethyl]-3-[[4-[(E)-N-methylsulfonyl-C-pyrrolidin-1-yl-carbonimidoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-[(E)-N-methylsulfonyl-C-pyrrolidin-1-yl-carbonimidoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-[(E)-N-methylsulfonyl-C-pyrrolidin-1-yl-carbonimidoyl]piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-[(E)-methylsulfonylimino(1-pyrrolidinyl)methyl]-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-[(E)-N-methylsulfonyl-C-pyrrolidin-1-ylcarbonimidoyl]piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-[(E)-N-mesyl-C-pyrrolidino-carbonimidoyl]piperazino]methyl]-2-phenyl-cinchoninamide Formula: C35H46N6O3S MolecularWeight: 630.84314

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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)C(=NS(=O)(=O)C)N6CCCC6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)/C(=N/S(=O)(=O)C)/N6CCCC6

InChI

InChI=1S/C35H46N6O3S/c1-26(27-13-5-3-6-14-27)36-34(42)32-29-17-9-10-18-31(29)37-33(28-15-7-4-8-16-28)30(32)25-39-21-23-41(24-22-39)35(38-45(2,43)44)40-19-11-12-20-40/h4,7-10,15-18,26-27H,3,5-6,11-14,19-25H2,1-2H3,(H,36,42)/b38-35+/t26-/m0/s1