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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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