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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-phenyl-ethyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-phenyl-ethyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(diethylamino)-2-phenylethyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-phenylethyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(diethylamino)-2-phenyl-ethyl]-4-methoxy-benzamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C26H37N3O4S/c1-4-28(5-2)23(21-13-9-8-10-14-21)20-27-26(30)22-15-16-24(33-3)25(19-22)34(31,32)29-17-11-6-7-12-18-29/h8-10,13-16,19,23H,4-7,11-12,17-18,20H2,1-3H3,(H,27,30)