(3R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3R)-N-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-N-[(Z)-piperonylideneamino]-1-tosyl-nipecotamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NN=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)N/N=C\C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5S/c1-15-4-7-18(8-5-15)30(26,27)24-10-2-3-17(13-24)21(25)23-22-12-16-6-9-19-20(11-16)29-14-28-19/h4-9,11-12,17H,2-3,10,13-14H2,1H3,(H,23,25)/b22-12-/t17-/m1/s1