3-oxidanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide

Systemtic Name: 3-oxidanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide Openeye Name: 3-hydroxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide CAS Name: 3-hydroxy-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-5-benzotriazolecarboxamide IUPAC Name: 3-hydroxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzotriazole-5-carboxamide Traditional Name: 3-hydroxy-N-(4-pyrrolidinosulfonylphenyl)benzotriazole-5-carboxamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=NN4O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)N=NN4O

InChI

InChI=1S/C17H17N5O4S/c23-17(12-3-8-15-16(11-12)22(24)20-19-15)18-13-4-6-14(7-5-13)27(25,26)21-9-1-2-10-21/h3-8,11,24H,1-2,9-10H2,(H,18,23)