N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O3S2/c1-17-12-14-18(15-13-17)33(30,31)28-16-6-10-22(28)24(29)26-20-8-3-2-7-19(20)25-27-21-9-4-5-11-23(21)32-25/h2-5,7-9,11-15,22H,6,10,16H2,1H3,(H,26,29)