(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-besylpiperazino)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-en-1-one Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-3-30-20-16-17(15-19(23)22(20)29-2)9-10-21(26)24-11-13-25(14-12-24)31(27,28)18-7-5-4-6-8-18/h4-10,15-16H,3,11-14H2,1-2H3/b10-9+