5-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-oxidanyl-amino]-2-methyl-pent-4-ynoic acid

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-oxidanyl-amino]-2-methyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-[hydroxy-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-[hydroxy-(4-methoxyphenyl)sulfonylamino]-2-methyl-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-[hydroxy-(4-methoxyphenyl)sulfonylamino]-2-methylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-[hydroxy-(4-methoxyphenyl)sulfonyl-amino]-2-methyl-pent-4-ynoic acid Formula: C19H18ClNO6S MolecularWeight: 423.86732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC1=CC=C(C=C1)Cl)(C(=O)O)N(O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(CC#CC1=CC=C(C=C1)Cl)(C(=O)O)N(O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H18ClNO6S/c1-19(18(22)23,13-3-4-14-5-7-15(20)8-6-14)21(24)28(25,26)17-11-9-16(27-2)10-12-17/h5-12,24H,13H2,1-2H3,(H,22,23)