(3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C23H27N3O7S MolecularWeight: 489.54138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O7S/c1-31-18-5-7-19(8-6-18)34(29,30)26-12-2-3-16(14-26)23(28)24-11-10-22(27)25-17-4-9-20-21(13-17)33-15-32-20/h4-9,13,16H,2-3,10-12,14-15H2,1H3,(H,24,28)(H,25,27)/t16-/m1/s1