(E)-N-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enamide

Systemtic Name: (E)-N-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-but-2-enamide Openeye Name: (E)-N-cyclopropyl-4-oxo-4-[4-(p-tolylsulfonyl)piperazin-1-yl]but-2-enamide CAS Name: (E)-N-cyclopropyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-oxo-2-butenamide IUPAC Name: (E)-N-cyclopropyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobut-2-enamide Traditional Name: (E)-N-cyclopropyl-4-keto-4-(4-tosylpiperazino)but-2-enamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C(=O)NC3CC3

InChI

InChI=1S/C18H23N3O4S/c1-14-2-6-16(7-3-14)26(24,25)21-12-10-20(11-13-21)18(23)9-8-17(22)19-15-4-5-15/h2-3,6-9,15H,4-5,10-13H2,1H3,(H,19,22)/b9-8+