2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

Systemtic Name: 2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxidanylidene-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Openeye Name: N-isopentyl-2-methyl-6-oxo-4-(p-tolylsulfonyl)-1-[2-(2-thienyl)ethyl]piperazine-2-carboxamide CAS Name: 2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxo-1-(2-thiophen-2-ylethyl)-2-piperazinecarboxamide IUPAC Name: 2-methyl-N-(3-methylbutyl)-4-(4-methylphenyl)sulfonyl-6-oxo-1-(2-thiophen-2-ylethyl)piperazine-2-carboxamide Traditional Name: N-isoamyl-6-keto-2-methyl-1-[2-(2-thienyl)ethyl]-4-tosyl-piperazine-2-carboxamide Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(C(C2)(C)C(=O)NCCC(C)C)CCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N(C(C2)(C)C(=O)NCCC(C)C)CCC3=CC=CS3

InChI

InChI=1S/C24H33N3O4S2/c1-18(2)11-13-25-23(29)24(4)17-26(33(30,31)21-9-7-19(3)8-10-21)16-22(28)27(24)14-12-20-6-5-15-32-20/h5-10,15,18H,11-14,16-17H2,1-4H3,(H,25,29)