N-(1,3-benzoxazol-2-yl)-4-chloranyl-5-methyl-2-prop-2-ynylsulfanyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzoxazol-2-yl)-4-chloranyl-5-methyl-2-prop-2-ynylsulfanyl-benzenesulfonamide Openeye Name: N-(1,3-benzoxazol-2-yl)-4-chloro-5-methyl-2-prop-2-ynylsulfanyl-benzenesulfonamide CAS Name: N-(1,3-benzoxazol-2-yl)-4-chloro-5-methyl-2-(prop-2-ynylthio)benzenesulfonamide IUPAC Name: N-(1,3-benzoxazol-2-yl)-4-chloro-5-methyl-2-prop-2-ynylsulfanylbenzenesulfonamide Traditional Name: N-(1,3-benzoxazol-2-yl)-4-chloro-5-methyl-2-(propargylthio)benzenesulfonamide Formula: C17H13ClN2O3S2 MolecularWeight: 392.87972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC#C)S(=O)(=O)NC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC#C)S(=O)(=O)NC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H13ClN2O3S2/c1-3-8-24-15-10-12(18)11(2)9-16(15)25(21,22)20-17-19-13-6-4-5-7-14(13)23-17/h1,4-7,9-10H,8H2,2H3,(H,19,20)