3-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-ethoxyphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-ethoxyphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-p-phenetyl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-2-27-19-12-10-18(11-13-19)22-21(24)17-8-7-9-20(16-17)28(25,26)23-14-5-3-4-6-15-23/h7-13,16H,2-6,14-15H2,1H3,(H,22,24)