3-(azepan-1-ylcarbonyl)-N-[(4-ethoxyphenyl)methyl]-4-methoxy-benzenesulfonamide

Systemtic Name: 3-(azepan-1-ylcarbonyl)-N-[(4-ethoxyphenyl)methyl]-4-methoxy-benzenesulfonamide Openeye Name: 3-(azepane-1-carbonyl)-N-[(4-ethoxyphenyl)methyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[1-azepanyl(oxo)methyl]-N-[(4-ethoxyphenyl)methyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(azepane-1-carbonyl)-N-[(4-ethoxyphenyl)methyl]-4-methoxybenzenesulfonamide Traditional Name: 3-(azepane-1-carbonyl)-N-(4-ethoxybenzyl)-4-methoxy-benzenesulfonamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)CNS(=O)(=O)C2=CC(=C(C=C2)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O5S/c1-3-30-19-10-8-18(9-11-19)17-24-31(27,28)20-12-13-22(29-2)21(16-20)23(26)25-14-6-4-5-7-15-25/h8-13,16,24H,3-7,14-15,17H2,1-2H3