N-[4-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-[(4-m-toluoyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-16-5-3-6-18(15-16)21(26)23-11-4-12-24(14-13-23)29(27,28)20-9-7-19(8-10-20)22-17(2)25/h3,5-10,15H,4,11-14H2,1-2H3,(H,22,25)