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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-1-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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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(C=CC=C5S4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3S2/c1-20(2)24-11-7-13-26-27(24)30-29(36-26)31(19-22-9-5-4-6-10-22)28(33)25-12-8-18-32(25)37(34,35)23-16-14-21(3)15-17-23/h4-7,9-11,13-17,20,25H,8,12,18-19H2,1-3H3