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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone Openeye Name: (4-phenylphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone Traditional Name: (4-phenylphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-20-8-14-24(15-9-20)31(29,30)27-17-5-16-26(18-19-27)25(28)23-12-10-22(11-13-23)21-6-3-2-4-7-21/h2-4,6-15H,5,16-19H2,1H3