(E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-(3-methoxyphenyl)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)C)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N2O4S/c1-17-7-8-18(2)21(15-17)29(26,27)24-13-11-23(12-14-24)22(25)10-9-19-5-4-6-20(16-19)28-3/h4-10,15-16H,11-14H2,1-3H3/b10-9+