N-(1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-prop-2-enyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)-N-prop-2-enyl-piperidine-4-carboxamide Openeye Name: N-allyl-1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-prop-2-enyl-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-prop-2-enylpiperidine-4-carboxamide Traditional Name: N-allyl-N-(1,3-benzothiazol-2-yl)-1-besyl-isonipecotamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c1-2-14-25(22-23-19-10-6-7-11-20(19)29-22)21(26)17-12-15-24(16-13-17)30(27,28)18-8-4-3-5-9-18/h2-11,17H,1,12-16H2