N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-[3-(1-azepanyl)propyl]-2-methoxy-5-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(4-methylpiperidino)sulfonyl-benzamide Formula: C23H37N3O4S MolecularWeight: 451.62258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NCCCN3CCCCCC3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)NCCCN3CCCCCC3

InChI

InChI=1S/C23H37N3O4S/c1-19-10-16-26(17-11-19)31(28,29)20-8-9-22(30-2)21(18-20)23(27)24-12-7-15-25-13-5-3-4-6-14-25/h8-9,18-19H,3-7,10-17H2,1-2H3,(H,24,27)