3-(azepan-1-ylsulfonyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-benzamide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2CC2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2CC2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H32N2O5S/c1-31-21-12-9-19(10-13-21)24(18-7-8-18)26-25(28)20-11-14-22(32-2)23(17-20)33(29,30)27-15-5-3-4-6-16-27/h9-14,17-18,24H,3-8,15-16H2,1-2H3,(H,26,28)