3-(1,3-benzodioxol-5-yl)-1-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-chloranyl-2-methoxy-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-methoxyphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(5-chloro-2-methoxy-phenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C21H21ClN2O6S MolecularWeight: 464.91924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21ClN2O6S/c1-28-18-6-4-16(22)13-20(18)31(26,27)24-10-8-23(9-11-24)21(25)7-3-15-2-5-17-19(12-15)30-14-29-17/h2-7,12-13H,8-11,14H2,1H3