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

Systemtic Name: N-[1-[(2-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-methoxyphenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-[(2-methoxyphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(methylthio)-1-(o-anisylcarbamoyl)propyl]-1-tosyl-isonipecotamide Formula: C26H35N3O5S2 MolecularWeight: 533.7032

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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=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCC3=CC=CC=C3OC

InChI

InChI=1S/C26H35N3O5S2/c1-19-8-10-22(11-9-19)36(32,33)29-15-12-20(13-16-29)25(30)28-23(14-17-35-3)26(31)27-18-21-6-4-5-7-24(21)34-2/h4-11,20,23H,12-18H2,1-3H3,(H,27,31)(H,28,30)