N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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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(=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(CC3=CC=CC=C3)C4=NC5=C(S4)C=CC(=C5)OC

InChI

InChI=1S/C27H27N3O4S2/c1-19-10-13-22(14-11-19)36(32,33)30-16-6-9-24(30)26(31)29(18-20-7-4-3-5-8-20)27-28-23-17-21(34-2)12-15-25(23)35-27/h3-5,7-8,10-15,17,24H,6,9,16,18H2,1-2H3