1-(3-methylsulfonylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(3-methylsulfonylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-isopropyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(3-methylsulfonylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(3-methylsulfonylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(6-isopropyl-1,3-benzothiazol-2-yl)-1-(3-mesylphenyl)sulfonyl-isonipecotamide Formula: C23H27N3O5S3 MolecularWeight: 521.67258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S3/c1-15(2)17-7-8-20-21(13-17)32-23(24-20)25-22(27)16-9-11-26(12-10-16)34(30,31)19-6-4-5-18(14-19)33(3,28)29/h4-8,13-16H,9-12H2,1-3H3,(H,24,25,27)