N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(4-methylphenyl)pent-2-ynyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(4-methylphenyl)pent-2-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(p-tolyl)pent-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,4R)-4-(1-benzotriazolyl)-1-(4-methylphenyl)pent-2-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(4-methylphenyl)pent-2-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(p-tolyl)pent-2-ynyl]-4-methyl-benzenesulfonamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#CC(C)N2C3=CC=CC=C3N=N2)NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C#C[C@@H](C)N2C3=CC=CC=C3N=N2)NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H24N4O2S/c1-18-8-13-21(14-9-18)23(27-32(30,31)22-15-10-19(2)11-16-22)17-12-20(3)29-25-7-5-4-6-24(25)26-28-29/h4-11,13-16,20,23,27H,1-3H3/t20-,23+/m1/s1