N-[(1S)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)but-2-ynyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1S)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)but-2-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)but-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1S)-4-(1-benzotriazolyl)-1-(4-chlorophenyl)but-2-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1S)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)but-2-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)but-2-ynyl]-4-methyl-benzenesulfonamide Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN4O2S/c1-17-8-14-20(15-9-17)31(29,30)26-21(18-10-12-19(24)13-11-18)6-4-16-28-23-7-3-2-5-22(23)25-27-28/h2-3,5,7-15,21,26H,16H2,1H3/t21-/m1/s1