N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=CC=C5S4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=N3)C4=NC5=C(C=CC=C5S4)C

InChI

InChI=1S/C26H26N4O3S2/c1-18-11-13-21(14-12-18)35(32,33)30-16-6-9-22(30)25(31)29(17-20-8-3-4-15-27-20)26-28-24-19(2)7-5-10-23(24)34-26/h3-5,7-8,10-15,22H,6,9,16-17H2,1-2H3