N-[(1R)-4-(benzotriazol-1-yl)-1-naphthalen-1-yl-but-2-ynyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R)-4-(benzotriazol-1-yl)-1-naphthalen-1-yl-but-2-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R)-4-(benzotriazol-1-yl)-1-(1-naphthyl)but-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R)-4-(1-benzotriazolyl)-1-(1-naphthalenyl)but-2-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R)-4-(benzotriazol-1-yl)-1-naphthalen-1-ylbut-2-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R)-4-(benzotriazol-1-yl)-1-(1-naphthyl)but-2-ynyl]-4-methyl-benzenesulfonamide Formula: C27H22N4O2S MolecularWeight: 466.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C#CCN2C3=CC=CC=C3N=N2)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C#CCN2C3=CC=CC=C3N=N2)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O2S/c1-20-15-17-22(18-16-20)34(32,33)29-25(24-11-6-9-21-8-2-3-10-23(21)24)13-7-19-31-27-14-5-4-12-26(27)28-30-31/h2-6,8-12,14-18,25,29H,19H2,1H3/t25-/m1/s1