(4-methoxy-3-prop-2-enyl-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-methoxy-3-prop-2-enyl-phenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-allyl-4-methoxy-phenyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-methoxy-3-prop-2-enylphenyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methoxy-3-prop-2-enylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-allyl-4-methoxy-phenyl)-(4-tosylpiperazino)methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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