(E)-3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-methoxyphenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-methoxyphenyl)-1-(4-tosyl-1,4-diazepan-1-yl)prop-2-en-1-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-18-7-10-21(11-8-18)29(26,27)24-14-4-13-23(15-16-24)22(25)12-9-19-5-3-6-20(17-19)28-2/h3,5-12,17H,4,13-16H2,1-2H3/b12-9+