N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methylsulfonyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-methylsulfonyl-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-methylsulfonylbenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-methylsulfonylbenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-mesyl-benzamide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S2/c1-29-19-12-11-16(31(27,28)23-13-7-3-4-8-14-23)15-18(19)22-21(24)17-9-5-6-10-20(17)30(2,25)26/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)