N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxidanylidene-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-[[1-(2-pyridyl)cyclohexyl]methylamino]ethyl]-3-methylsulfonyl-benzamide CAS Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[1-(2-pyridinyl)cyclohexyl]methylamino]propan-2-yl]-3-methylsulfonylbenzamide IUPAC Name: N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methylsulfonylbenzamide Traditional Name: N-[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-2-[[1-(2-pyridyl)cyclohexyl]methylamino]ethyl]-3-mesyl-benzamide Formula: C32H36N4O4S MolecularWeight: 572.71764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)C

Isomeric SMILES

C[C@](CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)C

InChI

InChI=1S/C32H36N4O4S/c1-31(20-24-21-34-27-14-5-4-13-26(24)27,36-29(37)23-11-10-12-25(19-23)41(2,39)40)30(38)35-22-32(16-7-3-8-17-32)28-15-6-9-18-33-28/h4-6,9-15,18-19,21,34H,3,7-8,16-17,20,22H2,1-2H3,(H,35,38)(H,36,37)/t31-/m0/s1