N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[3-(3,4-dichlorophenyl)-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[3-(3,4-dichlorophenyl)-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[3-(3,4-dichlorophenyl)-1-oxo-2-[(phenylmethyl)sulfonylamino]propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(benzylsulfonylamino)-3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxamide Formula: C28H31Cl2N5O4S2 MolecularWeight: 636.61284

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC(=C(C=C2)Cl)Cl)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NC4CCC5=C(C4)SC(=N5)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC(=C(C=C2)Cl)Cl)NS(=O)(=O)CC3=CC=CC=C3)C(=O)NC4CCC5=C(C4)SC(=N5)N

InChI

InChI=1S/C28H31Cl2N5O4S2/c29-20-10-8-18(13-21(20)30)14-23(34-41(38,39)16-17-5-2-1-3-6-17)27(37)35-12-4-7-24(35)26(36)32-19-9-11-22-25(15-19)40-28(31)33-22/h1-3,5-6,8,10,13,19,23-24,34H,4,7,9,11-12,14-16H2,(H2,31,33)(H,32,36)