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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(2-mesylphenyl)sulfonyl-isonipecotamide Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O5S3/c1-30(25,26)17-8-4-5-9-18(17)31(27,28)23-12-10-14(11-13-23)19(24)22-20-21-15-6-2-3-7-16(15)29-20/h2-9,14H,10-13H2,1H3,(H,21,22,24)