N-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propyl]-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: N-[(2S)-3-(benzotriazol-1-yl)-2-oxidanyl-propyl]-N-(4-methylphenyl)benzenesulfonamide Openeye Name: N-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-[(2S)-3-(1-benzotriazolyl)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-3-(benzotriazol-1-yl)-2-hydroxypropyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[(2S)-3-(benzotriazol-1-yl)-2-hydroxy-propyl]-N-(p-tolyl)benzenesulfonamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(CN2C3=CC=CC=C3N=N2)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N(C[C@H](CN2C3=CC=CC=C3N=N2)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-17-11-13-18(14-12-17)26(30(28,29)20-7-3-2-4-8-20)16-19(27)15-25-22-10-6-5-9-21(22)23-24-25/h2-14,19,27H,15-16H2,1H3/t19-/m0/s1