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

Systemtic Name: 1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C23H30N4O5S2 MolecularWeight: 506.6381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H30N4O5S2/c1-23(2,3)27-13-15(11-19(27)28)21(30)26-9-7-14(8-10-26)20(29)25-22-24-17-6-5-16(34(4,31)32)12-18(17)33-22/h5-6,12,14-15H,7-11,13H2,1-4H3,(H,24,25,29)