N-(4-ethanoylphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-ethanoylphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(4-acetylphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide CAS Name: N-(4-acetylphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-acetylphenyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(4-acetylphenyl)-4-mesyl-1,4-diazepane-1-carboxamide Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21N3O4S/c1-12(19)13-4-6-14(7-5-13)16-15(20)17-8-3-9-18(11-10-17)23(2,21)22/h4-7H,3,8-11H2,1-2H3,(H,16,20)