4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanoic acid

Systemtic Name: 4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanoic acid Openeye Name: 4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanoic acid CAS Name: 4-[5-(1-pyrrolidinylsulfonyl)-1-benzotriazolyl]butanoic acid IUPAC Name: 4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanoic acid Traditional Name: 4-(5-pyrrolidinosulfonylbenzotriazol-1-yl)butyric acid Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)CCCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(N=N3)CCCC(=O)O

InChI

InChI=1S/C14H18N4O4S/c19-14(20)4-3-9-18-13-6-5-11(10-12(13)15-16-18)23(21,22)17-7-1-2-8-17/h5-6,10H,1-4,7-9H2,(H,19,20)