1-[2-(4-dimethylaminophenyl)azepan-1-yl]-2-[(1-naphthalen-1-ylsulfonylpiperidin-2-yl)methoxy]ethanone

Systemtic Name: 1-[2-(4-dimethylaminophenyl)azepan-1-yl]-2-[(1-naphthalen-1-ylsulfonylpiperidin-2-yl)methoxy]ethanone Openeye Name: 1-[2-(4-dimethylaminophenyl)azepan-1-yl]-2-[[1-(1-naphthylsulfonyl)-2-piperidyl]methoxy]ethanone CAS Name: 1-[2-(4-dimethylaminophenyl)-1-azepanyl]-2-[[1-(1-naphthalenylsulfonyl)-2-piperidinyl]methoxy]ethanone IUPAC Name: 1-[2-(4-dimethylaminophenyl)azepan-1-yl]-2-[(1-naphthalen-1-ylsulfonylpiperidin-2-yl)methoxy]ethanone Traditional Name: 1-[2-(4-dimethylaminophenyl)azepan-1-yl]-2-[[1-(1-naphthylsulfonyl)-2-piperidyl]methoxy]ethanone Formula: C32H41N3O4S MolecularWeight: 563.75064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CCCCCN2C(=O)COCC3CCCCN3S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2CCCCCN2C(=O)COCC3CCCCN3S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C32H41N3O4S/c1-33(2)27-19-17-26(18-20-27)30-15-4-3-8-21-34(30)32(36)24-39-23-28-13-7-9-22-35(28)40(37,38)31-16-10-12-25-11-5-6-14-29(25)31/h5-6,10-12,14,16-20,28,30H,3-4,7-9,13,15,21-24H2,1-2H3