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

Systemtic Name: (3S)-1-[(2-cyclopentyl-5-ethylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)carbonyl]-N-cyclopropyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(2-cyclopentyl-5-ethylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonyl)-N-cyclopropyl-piperidine-3-carboxamide CAS Name: (3S)-1-[(2-cyclopentyl-5-ethylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl)-oxomethyl]-N-cyclopropyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-cyclopentyl-5-ethylsulfonyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carbonyl)-N-cyclopropylpiperidine-3-carboxamide Traditional Name: (3S)-1-(2-cyclopentyl-5-esyl-3,4-dihydro-1H-pyrid[4,3-b]indole-8-carbonyl)-N-cyclopropyl-nipecotamide Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4S/c1-2-37(35,36)32-25-12-9-19(28(34)31-14-5-6-20(17-31)27(33)29-21-10-11-21)16-23(25)24-18-30(15-13-26(24)32)22-7-3-4-8-22/h9,12,16,20-22H,2-8,10-11,13-15,17-18H2,1H3,(H,29,33)/t20-/m0/s1