[4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(3,4-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-16-6-4-7-19(14-16)21(24)22-10-5-11-23(13-12-22)27(25,26)20-9-8-17(2)18(3)15-20/h4,6-9,14-15H,5,10-13H2,1-3H3