2-azanyl-4-(4-but-2-ynoxyphenyl)sulfonyl-5,6-dimethyl-3-phenyl-benzoic acid

Systemtic Name: 2-azanyl-4-(4-but-2-ynoxyphenyl)sulfonyl-5,6-dimethyl-3-phenyl-benzoic acid Openeye Name: 2-amino-4-(4-but-2-ynoxyphenyl)sulfonyl-5,6-dimethyl-3-phenyl-benzoic acid CAS Name: 2-amino-4-(4-but-2-ynoxyphenyl)sulfonyl-5,6-dimethyl-3-phenylbenzoic acid IUPAC Name: 2-amino-4-(4-but-2-ynoxyphenyl)sulfonyl-5,6-dimethyl-3-phenylbenzoic acid Traditional Name: 2-amino-4-(4-but-2-ynoxyphenyl)sulfonyl-5,6-dimethyl-3-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)C2=C(C(=C(C(=C2C3=CC=CC=C3)N)C(=O)O)C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=C(C(=C2C3=CC=CC=C3)N)C(=O)O)C)C

InChI

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