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

Systemtic Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)hex-2-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)hex-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,4R)-4-(1-benzotriazolyl)-1-(4-chlorophenyl)hex-2-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)hex-2-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,4R)-4-(benzotriazol-1-yl)-1-(4-chlorophenyl)hex-2-ynyl]-4-methyl-benzenesulfonamide Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC(C1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC[C@H](C#C[C@@H](C1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H23ClN4O2S/c1-3-21(30-25-7-5-4-6-24(25)27-29-30)14-17-23(19-10-12-20(26)13-11-19)28-33(31,32)22-15-8-18(2)9-16-22/h4-13,15-16,21,23,28H,3H2,1-2H3/t21-,23+/m1/s1