[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-phenylazanylphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(2-phenylazanylphenyl)methanone Openeye Name: (2-anilinophenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-anilinophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-anilinophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-anilinophenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-20-12-14-22(15-13-20)32(30,31)28-17-7-16-27(18-19-28)25(29)23-10-5-6-11-24(23)26-21-8-3-2-4-9-21/h2-6,8-15,26H,7,16-19H2,1H3