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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c1-19-13-15-21(16-14-19)34(31,32)29-17-7-11-23(29)25(30)28(18-20-8-3-2-4-9-20)26-27-22-10-5-6-12-24(22)33-26/h2-6,8-10,12-16,23H,7,11,17-18H2,1H3