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

Systemtic Name: N-[1-[2-(4-methoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[2-(4-methoxyphenyl)ethylcarbamoyl]-3-methylsulfanyl-propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[1-[2-(4-methoxyphenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[2-(4-methoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-[2-(4-methoxyphenyl)ethylcarbamoyl]-3-(methylthio)propyl]-1-tosyl-isonipecotamide Formula: C27H37N3O5S2 MolecularWeight: 547.72978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C(=O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H37N3O5S2/c1-20-4-10-24(11-5-20)37(33,34)30-17-13-22(14-18-30)26(31)29-25(15-19-36-3)27(32)28-16-12-21-6-8-23(35-2)9-7-21/h4-11,22,25H,12-19H2,1-3H3,(H,28,32)(H,29,31)