N-[(1R)-4-(benzotriazol-1-yl)-1-thiophen-3-yl-but-2-ynyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R)-4-(benzotriazol-1-yl)-1-thiophen-3-yl-but-2-ynyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R)-4-(benzotriazol-1-yl)-1-(3-thienyl)but-2-ynyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R)-4-(1-benzotriazolyl)-1-(3-thiophenyl)but-2-ynyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R)-4-(benzotriazol-1-yl)-1-thiophen-3-ylbut-2-ynyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R)-4-(benzotriazol-1-yl)-1-(3-thienyl)but-2-ynyl]-4-methyl-benzenesulfonamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S2/c1-16-8-10-18(11-9-16)29(26,27)23-19(17-12-14-28-15-17)6-4-13-25-21-7-3-2-5-20(21)22-24-25/h2-3,5,7-12,14-15,19,23H,13H2,1H3/t19-/m1/s1