[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(4-benzyl-1-piperidyl)methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methylphenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-benzylpiperidin-1-yl)methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]-(4-benzylpiperidino)methanone Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3S/c1-21-11-12-24(32(30,31)28-15-7-2-3-8-16-28)20-25(21)26(29)27-17-13-23(14-18-27)19-22-9-5-4-6-10-22/h4-6,9-12,20,23H,2-3,7-8,13-19H2,1H3