N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-[6-(4-methylpiperazino)-3-pyridyl]-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C23H31N5O3S2 MolecularWeight: 489.65394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C(CCSC)NS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C(CCSC)NS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H31N5O3S2/c1-27-12-14-28(15-13-27)22-9-8-20(18-24-22)25-23(29)21(10-16-32-2)26-33(30,31)17-11-19-6-4-3-5-7-19/h3-9,11,17-18,21,26H,10,12-16H2,1-2H3,(H,25,29)/b17-11+