N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(2-naphthalenylsulfonylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-[2-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C31H33N5O4S2 MolecularWeight: 603.75482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC5CCC6=C(C5)SC(=N6)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=O)NC5CCC6=C(C5)SC(=N6)N

InChI

InChI=1S/C31H33N5O4S2/c32-31-34-25-15-13-23(19-28(25)41-31)33-29(37)27-11-6-16-36(27)30(38)26(17-20-7-2-1-3-8-20)35-42(39,40)24-14-12-21-9-4-5-10-22(21)18-24/h1-5,7-10,12,14,18,23,26-27,35H,6,11,13,15-17,19H2,(H2,32,34)(H,33,37)