2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(4-chlorophenyl)ethanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(4-chlorophenyl)ethanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(4-chlorophenyl)acetic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-(4-chlorophenyl)acetic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-(4-chlorophenyl)acetic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(4-chlorophenyl)acetic acid Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C19H18ClNO5S/c1-3-4-13-26-16-9-11-17(12-10-16)27(24,25)21(2)18(19(22)23)14-5-7-15(20)8-6-14/h5-12,18H,13H2,1-2H3,(H,22,23)