(3R)-1-[(2-cyclopentyl-5-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)carbonyl]-N-cyclopropyl-piperidine-3-carboxamide

Systemtic Name: (3R)-1-[(2-cyclopentyl-5-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)carbonyl]-N-cyclopropyl-piperidine-3-carboxamide Openeye Name: (3R)-1-(2-cyclopentyl-5-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonyl)-N-cyclopropyl-piperidine-3-carboxamide CAS Name: (3R)-1-[(2-cyclopentyl-5-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-oxomethyl]-N-cyclopropyl-3-piperidinecarboxamide IUPAC Name: (3R)-1-(2-cyclopentyl-5-methylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonyl)-N-cyclopropylpiperidine-3-carboxamide Traditional Name: (3R)-1-(2-cyclopentyl-5-mesyl-3,4-dihydro-1H-pyrid[4,3-b]indole-8-carbonyl)-N-cyclopropyl-nipecotamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C2=C(CN(CC2)C3CCCC3)C4=C1C=CC(=C4)C(=O)N5CCCC(C5)C(=O)NC6CC6

Isomeric SMILES

CS(=O)(=O)N1C2=C(CN(CC2)C3CCCC3)C4=C1C=CC(=C4)C(=O)N5CCC[C@H](C5)C(=O)NC6CC6

InChI

InChI=1S/C27H36N4O4S/c1-36(34,35)31-24-11-8-18(27(33)30-13-4-5-19(16-30)26(32)28-20-9-10-20)15-22(24)23-17-29(14-12-25(23)31)21-6-2-3-7-21/h8,11,15,19-21H,2-7,9-10,12-14,16-17H2,1H3,(H,28,32)/t19-/m1/s1