N-[(2S)-1-[(4-butoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-[(4-butoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(4-butoxyanilino)-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(4-butoxyanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(4-butoxyanilino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(4-butoxyanilino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H35N3O5S/c1-4-5-18-34-23-10-8-22(9-11-23)28-25(30)20(3)27-26(31)21-14-16-29(17-15-21)35(32,33)24-12-6-19(2)7-13-24/h6-13,20-21H,4-5,14-18H2,1-3H3,(H,27,31)(H,28,30)/t20-/m0/s1