4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-ethoxy-3-methoxy-benzyl)-N-ethyl-benzamide Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H34N2O5S/c1-4-26(19-20-10-15-23(32-5-2)24(18-20)31-3)25(28)21-11-13-22(14-12-21)33(29,30)27-16-8-6-7-9-17-27/h10-15,18H,4-9,16-17,19H2,1-3H3