N-[1-[(2-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(2-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-chlorophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-[(2-chlorophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-chlorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-[(2-chlorobenzyl)carbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C25H32ClN3O4S2 MolecularWeight: 538.12228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C25H32ClN3O4S2/c1-18-7-9-21(10-8-18)35(32,33)29-14-11-19(12-15-29)24(30)28-23(13-16-34-2)25(31)27-17-20-5-3-4-6-22(20)26/h3-10,19,23H,11-17H2,1-2H3,(H,27,31)(H,28,30)