3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(thiophen-2-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(thiophen-2-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(2-thienyl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-[phenyl(thiophen-2-yl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(thiophen-2-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-[phenyl(2-thienyl)methyl]benzamide Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(C2=CC=CC=C2)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H28N2O4S2/c1-31-21-14-13-20(18-23(21)33(29,30)27-15-7-2-3-8-16-27)25(28)26-24(22-12-9-17-32-22)19-10-5-4-6-11-19/h4-6,9-14,17-18,24H,2-3,7-8,15-16H2,1H3,(H,26,28)