2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-methyl-5-phenylbenzoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-3-methyl-5-phenylbenzoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-3-methyl-5-phenyl-benzoic acid Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H23NO5S/c1-4-5-15-31-21-11-13-22(14-12-21)32(29,30)26(3)24-18(2)16-20(17-23(24)25(27)28)19-9-7-6-8-10-19/h6-14,16-17H,15H2,1-3H3,(H,27,28)