5-bromanyl-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide

Systemtic Name: 5-bromanyl-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide Openeye Name: 5-bromo-3-pyrrolidin-1-ylsulfonyl-N-(thiazol-4-ylmethyl)-1H-indole-2-carboxamide CAS Name: 5-bromo-3-(1-pyrrolidinylsulfonyl)-N-(4-thiazolylmethyl)-1H-indole-2-carboxamide IUPAC Name: 5-bromo-3-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide Traditional Name: 5-bromo-3-pyrrolidinosulfonyl-N-(thiazol-4-ylmethyl)-1H-indole-2-carboxamide Formula: C17H17BrN4O3S2 MolecularWeight: 469.37588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NCC4=CSC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Br)C(=O)NCC4=CSC=N4

InChI

InChI=1S/C17H17BrN4O3S2/c18-11-3-4-14-13(7-11)16(27(24,25)22-5-1-2-6-22)15(21-14)17(23)19-8-12-9-26-10-20-12/h3-4,7,9-10,21H,1-2,5-6,8H2,(H,19,23)