(3S)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-1-tosyl-nipecotamide Formula: C22H25N3O5S MolecularWeight: 443.516

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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)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N/N=C\C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H25N3O5S/c1-16-4-7-19(8-5-16)31(27,28)25-10-2-3-18(15-25)22(26)24-23-14-17-6-9-20-21(13-17)30-12-11-29-20/h4-9,13-14,18H,2-3,10-12,15H2,1H3,(H,24,26)/b23-14-/t18-/m0/s1