N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C25H25N3O3S3 MolecularWeight: 511.6793

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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=CS5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

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