2-(benzotriazol-1-yloxy)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(benzotriazol-1-yloxy)-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(benzotriazol-1-yloxy)-N-(2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(1-benzotriazolyloxy)-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(benzotriazol-1-yloxy)-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(benzotriazol-1-yloxy)-N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)acetamide Formula: C18H18ClN5O4S MolecularWeight: 435.88462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CON3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18ClN5O4S/c19-14-8-7-13(29(26,27)23-9-3-4-10-23)11-16(14)20-18(25)12-28-24-17-6-2-1-5-15(17)21-22-24/h1-2,5-8,11H,3-4,9-10,12H2,(H,20,25)