N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(5-oxo-1-phenyl-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[oxo-(5-oxo-1-phenyl-3-pyrrolidinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(5-keto-1-phenyl-pyrrolidine-3-carbonyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C25H26N4O5S2 MolecularWeight: 526.62774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O5S2/c1-36(33,34)19-7-8-20-21(14-19)35-25(26-20)27-23(31)16-9-11-28(12-10-16)24(32)17-13-22(30)29(15-17)18-5-3-2-4-6-18/h2-8,14,16-17H,9-13,15H2,1H3,(H,26,27,31)