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

Systemtic Name: (2-ethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-ethoxyphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-ethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-ethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: o-phenetyl-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O4S/c1-3-27-20-8-5-4-7-19(20)21(24)22-13-6-14-23(16-15-22)28(25,26)18-11-9-17(2)10-12-18/h4-5,7-12H,3,6,13-16H2,1-2H3