3-(2-hydroxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(2-hydroxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(2-hydroxyphenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2-hydroxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2-hydroxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(2-hydroxyphenyl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C21H26N2O4S/c1-17-7-10-19(11-8-17)28(26,27)23-14-4-13-22(15-16-23)21(25)12-9-18-5-2-3-6-20(18)24/h2-3,5-8,10-11,24H,4,9,12-16H2,1H3