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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C26H24ClN3O3S2 MolecularWeight: 526.07006

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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=C(S4)C=CC=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=C3)C4=NC5=C(S4)C=CC=C5Cl

InChI

InChI=1S/C26H24ClN3O3S2/c1-18-12-14-20(15-13-18)35(32,33)30-16-6-10-22(30)25(31)29(17-19-7-3-2-4-8-19)26-28-24-21(27)9-5-11-23(24)34-26/h2-5,7-9,11-15,22H,6,10,16-17H2,1H3