N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S2/c1-2-28-16-8-9-18-19(14-16)29-21(22-18)23-20(25)15-10-12-24(13-11-15)30(26,27)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3,(H,22,23,25)