[5-ethynyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophen-3-yl] N-oxidanylcarbamate

Systemtic Name: [5-ethynyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]thiophen-3-yl] N-oxidanylcarbamate Openeye Name: [2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-3-thienyl] N-hydroxycarbamate CAS Name: N-hydroxycarbamic acid [5-ethynyl-2-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-thiophenyl] ester IUPAC Name: [2-[benzyl-(4-methoxyphenyl)sulfonylamino]-5-ethynylthiophen-3-yl] N-hydroxycarbamate Traditional Name: N-hydroxycarbamic acid [2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-5-ethynyl-3-thienyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(S3)C#C)OC(=O)NO

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(S3)C#C)OC(=O)NO

InChI

InChI=1S/C21H18N2O6S2/c1-3-17-13-19(29-21(24)22-25)20(30-17)23(14-15-7-5-4-6-8-15)31(26,27)18-11-9-16(28-2)10-12-18/h1,4-13,25H,14H2,2H3,(H,22,24)