[2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone Openeye Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonyl-4-piperidyl)methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-(1-methylsulfonyl-4-piperidinyl)methanone IUPAC Name: [2-(4-methoxyphenyl)azepan-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone Traditional Name: (1-mesyl-4-piperidyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H30N2O4S/c1-26-18-9-7-16(8-10-18)19-6-4-3-5-13-22(19)20(23)17-11-14-21(15-12-17)27(2,24)25/h7-10,17,19H,3-6,11-15H2,1-2H3