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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)-N-(2-pyridylmethyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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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=CC=CC=C5S4

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3S2/c1-18-11-13-20(14-12-18)34(31,32)29-16-6-9-22(29)24(30)28(17-19-7-4-5-15-26-19)25-27-21-8-2-3-10-23(21)33-25/h2-5,7-8,10-15,22H,6,9,16-17H2,1H3