N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=N3)C4=NC5=C(S4)C=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=N3)C4=NC5=C(S4)C=C(C=C5)C

InChI

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