(3,4-dimethoxy-5-prop-2-enyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxy-5-prop-2-enyl-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-allyl-4,5-dimethoxy-phenyl)-(4-benzylsulfonylpiperazin-1-yl)methanone CAS Name: (3,4-dimethoxy-5-prop-2-enylphenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3,4-dimethoxy-5-prop-2-enylphenyl)methanone Traditional Name: (3-allyl-4,5-dimethoxy-phenyl)-(4-benzylsulfonylpiperazino)methanone Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O5S/c1-4-8-19-15-20(16-21(29-2)22(19)30-3)23(26)24-11-13-25(14-12-24)31(27,28)17-18-9-6-5-7-10-18/h4-7,9-10,15-16H,1,8,11-14,17H2,2-3H3