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

Systemtic Name: 1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C26H28N4O5S2 MolecularWeight: 540.65432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C26H28N4O5S2/c1-16-3-5-19(6-4-16)30-15-18(13-23(30)31)25(33)29-11-9-17(10-12-29)24(32)28-26-27-21-8-7-20(37(2,34)35)14-22(21)36-26/h3-8,14,17-18H,9-13,15H2,1-2H3,(H,27,28,32)