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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenoxyphenyl)methanone Openeye Name: (3-phenoxyphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenoxyphenyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenoxyphenyl)methanone Traditional Name: (3-phenoxyphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H26N2O4S MolecularWeight: 450.54994

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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=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4S/c1-20-11-13-24(14-12-20)32(29,30)27-16-6-15-26(17-18-27)25(28)21-7-5-10-23(19-21)31-22-8-3-2-4-9-22/h2-5,7-14,19H,6,15-18H2,1H3