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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2-mesylphenyl)sulfonyl-isonipecotamide Formula: C22H24N4O6S3 MolecularWeight: 536.64416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C22H24N4O6S3/c1-14(27)23-16-7-8-17-18(13-16)33-22(24-17)25-21(28)15-9-11-26(12-10-15)35(31,32)20-6-4-3-5-19(20)34(2,29)30/h3-8,13,15H,9-12H2,1-2H3,(H,23,27)(H,24,25,28)