N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C25H25N3O3S3 MolecularWeight: 511.6793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H25N3O3S3/c1-17-14-20-22(15-18(17)2)33-25(26-20)27(16-19-8-4-3-5-9-19)24(29)21-10-6-12-28(21)34(30,31)23-11-7-13-32-23/h3-5,7-9,11,13-15,21H,6,10,12,16H2,1-2H3