N-[1-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[1-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]cyclopropanecarboxamide Openeye Name: N-[3-methylsulfanyl-1-[[1-(p-tolylsulfonyl)-4-piperidyl]carbamoyl]propyl]cyclopropanecarboxamide CAS Name: N-[1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]amino]-4-(methylthio)-1-oxobutan-2-yl]cyclopropanecarboxamide IUPAC Name: N-[1-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]cyclopropanecarboxamide Traditional Name: N-[3-(methylthio)-1-[(1-tosyl-4-piperidyl)carbamoyl]propyl]cyclopropanecarboxamide Formula: C21H31N3O4S2 MolecularWeight: 453.61854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C(CCSC)NC(=O)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C(CCSC)NC(=O)C3CC3

InChI

InChI=1S/C21H31N3O4S2/c1-15-3-7-18(8-4-15)30(27,28)24-12-9-17(10-13-24)22-21(26)19(11-14-29-2)23-20(25)16-5-6-16/h3-4,7-8,16-17,19H,5-6,9-14H2,1-2H3,(H,22,26)(H,23,25)