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

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O7S/c1-15(22(27)25-17-3-8-20-21(13-17)33-14-32-20)24-23(28)16-9-11-26(12-10-16)34(29,30)19-6-4-18(31-2)5-7-19/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)/t15-/m0/s1