3-(azepan-1-ylsulfonyl)-4-methoxy-N-phenethyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-phenethyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-phenethyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-phenethylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-phenethylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-phenethyl-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCC2=CC=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-28-20-12-11-19(22(25)23-14-13-18-9-5-4-6-10-18)17-21(20)29(26,27)24-15-7-2-3-8-16-24/h4-6,9-12,17H,2-3,7-8,13-16H2,1H3,(H,23,25)