N-(2-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylphenyl)-N-(2-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H25N3O4S/c1-27-19-7-4-3-6-18(19)21-20(24)23-13-5-12-22(14-15-23)16-8-10-17(11-9-16)28(2,25)26/h3-4,6-11H,5,12-15H2,1-2H3,(H,21,24)