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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(phenoxymethyl)phenyl]methanone Openeye Name: [2-(phenoxymethyl)phenyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(phenoxymethyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[2-(phenoxymethyl)phenyl]methanone Traditional Name: [2-(phenoxymethyl)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C26H28N2O4S MolecularWeight: 464.57652

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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=C3COC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4S/c1-21-12-14-24(15-13-21)33(30,31)28-17-7-16-27(18-19-28)26(29)25-11-6-5-8-22(25)20-32-23-9-3-2-4-10-23/h2-6,8-15H,7,16-20H2,1H3