3-(azepan-1-ylsulfonyl)-N-[2-(dimethylaminomethyl)phenyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylaminomethyl)phenyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylaminomethyl)phenyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(dimethylaminomethyl)phenyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylaminomethyl)phenyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(dimethylaminomethyl)phenyl]-4-methoxy-benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(C)CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H31N3O4S/c1-25(2)17-19-10-6-7-11-20(19)24-23(27)18-12-13-21(30-3)22(16-18)31(28,29)26-14-8-4-5-9-15-26/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,24,27)