3-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-o-veratryl-benzamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=C(C(=CC=C2)OC)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=C(C(=CC=C2)OC)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O6S/c1-29-19-12-11-17(15-21(19)32(27,28)25-13-6-4-5-7-14-25)23(26)24-16-18-9-8-10-20(30-2)22(18)31-3/h8-12,15H,4-7,13-14,16H2,1-3H3,(H,24,26)