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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H29N3O3S2/c1-3-22-11-7-13-25-26(22)29-28(35-25)30(19-21-9-5-4-6-10-21)27(32)24-12-8-18-31(24)36(33,34)23-16-14-20(2)15-17-23/h4-7,9-11,13-17,24H,3,8,12,18-19H2,1-2H3