[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (1-indan-5-ylsulfonyl-4-piperidyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (1-indan-5-ylsulfonyl-4-piperidyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C26H35N3O3S MolecularWeight: 469.6394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C26H35N3O3S/c1-27-15-6-10-24(27)25-9-3-2-4-16-29(25)26(30)21-13-17-28(18-14-21)33(31,32)23-12-11-20-7-5-8-22(20)19-23/h6,10-12,15,19,21,25H,2-5,7-9,13-14,16-18H2,1H3