N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O6S/c1-15-3-6-19(7-4-15)33(29,30)26-11-9-17(10-12-26)23(28)24-16(2)22(27)25-18-5-8-20-21(13-18)32-14-31-20/h3-8,13,16-17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)/t16-/m0/s1