N-[1-[(4-methylpiperazin-1-yl)sulfonylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide

Systemtic Name: N-[1-[(4-methylpiperazin-1-yl)sulfonylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Openeye Name: N-[1-[(4-methylpiperazin-1-yl)sulfonylcarbamoyl]-3-methylsulfanyl-propyl]-2-phenyl-4-(3-pyridyloxymethyl)benzamide CAS Name: N-[1-[(4-methyl-1-piperazinyl)sulfonylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-phenyl-4-(3-pyridinyloxymethyl)benzamide IUPAC Name: N-[1-[(4-methylpiperazin-1-yl)sulfonylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-yloxymethyl)benzamide Traditional Name: N-[1-[(4-methylpiperazino)sulfonylcarbamoyl]-3-(methylthio)propyl]-2-phenyl-4-(3-pyridyloxymethyl)benzamide Formula: C29H35N5O5S2 MolecularWeight: 597.7487

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)NC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)COC3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)NC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)COC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N5O5S2/c1-33-14-16-34(17-15-33)41(37,38)32-29(36)27(12-18-40-2)31-28(35)25-11-10-22(21-39-24-9-6-13-30-20-24)19-26(25)23-7-4-3-5-8-23/h3-11,13,19-20,27H,12,14-18,21H2,1-2H3,(H,31,35)(H,32,36)