N-[3-(benzotriazol-1-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: N-[3-(benzotriazol-1-yl)-2-oxidanyl-propyl]-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: N-[3-(benzotriazol-1-yl)-2-hydroxy-propyl]-N-(3-nitrophenyl)benzenesulfonamide CAS Name: N-[3-(1-benzotriazolyl)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: N-[3-(benzotriazol-1-yl)-2-hydroxypropyl]-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: N-[3-(benzotriazol-1-yl)-2-hydroxy-propyl]-N-(3-nitrophenyl)benzenesulfonamide Formula: C21H19N5O5S MolecularWeight: 453.47106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=CC=CC=C3N=N2)O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(CN2C3=CC=CC=C3N=N2)O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5S/c27-18(14-24-21-12-5-4-11-20(21)22-23-24)15-25(16-7-6-8-17(13-16)26(28)29)32(30,31)19-9-2-1-3-10-19/h1-13,18,27H,14-15H2