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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methylsulfonylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methylsulfonylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(4-methylsulfonylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(4-methylsulfonylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-mesylphenyl)-4-methoxy-benzamide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O6S2/c1-29-19-12-7-16(15-20(19)31(27,28)23-13-5-3-4-6-14-23)21(24)22-17-8-10-18(11-9-17)30(2,25)26/h7-12,15H,3-6,13-14H2,1-2H3,(H,22,24)