[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-benzyl-1-piperidyl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(4-benzylpiperidin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-benzylpiperidino)methanone Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H34N2O4S/c1-32-24-12-11-23(20-25(24)33(30,31)28-15-7-2-3-8-16-28)26(29)27-17-13-22(14-18-27)19-21-9-5-4-6-10-21/h4-6,9-12,20,22H,2-3,7-8,13-19H2,1H3