N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)C

InChI

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