N-(3-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-(4-methylsulfonylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(4-mesylphenyl)-1,4-diazepane-1-carboxamide Formula: C19H22ClN3O3S MolecularWeight: 407.91428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3S/c1-27(25,26)18-8-6-17(7-9-18)22-10-3-11-23(13-12-22)19(24)21-16-5-2-4-15(20)14-16/h2,4-9,14H,3,10-13H2,1H3,(H,21,24)