1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanone

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanone Openeye Name: 2-[allyl(2-thienylmethyl)amino]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanone Traditional Name: 2-[allyl(2-thenyl)amino]-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]ethanone Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC=C)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN(CC=C)CC3=CC=CS3)OC

InChI

InChI=1S/C22H29N3O5S2/c1-4-9-23(16-18-6-5-14-31-18)17-22(26)24-10-12-25(13-11-24)32(27,28)19-7-8-20(29-2)21(15-19)30-3/h4-8,14-15H,1,9-13,16-17H2,2-3H3