N-(1,3-benzothiazol-2-yl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-(1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O4S2/c1-14(25)15-6-8-17(9-7-15)30(27,28)24-12-10-16(11-13-24)20(26)23-21-22-18-4-2-3-5-19(18)29-21/h2-9,16H,10-13H2,1H3,(H,22,23,26)