2-[(4-but-2-ynoxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethyl-benzoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethyl-benzoic acid Openeye Name: 2-[benzyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3,5-dimethyl-benzoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(phenylmethyl)amino]-3,5-dimethylbenzoic acid IUPAC Name: 2-[benzyl-(4-but-2-ynoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid Traditional Name: 2-[benzyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3,5-dimethyl-benzoic acid Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3C(=O)O)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=C(C=C(C=C3C(=O)O)C)C

InChI

InChI=1S/C26H25NO5S/c1-4-5-15-32-22-11-13-23(14-12-22)33(30,31)27(18-21-9-7-6-8-10-21)25-20(3)16-19(2)17-24(25)26(28)29/h6-14,16-17H,15,18H2,1-3H3,(H,28,29)