2-azanyl-5-ethynyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-ethynyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-5-ethynyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid CAS Name: 2-amino-5-ethynyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-5-ethynyl-4-(4-methoxyphenyl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-amino-6-benzyl-5-ethynyl-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N)C(=O)O)CC2=CC=CC=C2)C#C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=C(C(=C1N)C(=O)O)CC2=CC=CC=C2)C#C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H21NO5S/c1-4-19-20(14-16-8-6-5-7-9-16)21(24(26)27)22(25)15(2)23(19)31(28,29)18-12-10-17(30-3)11-13-18/h1,5-13H,14,25H2,2-3H3,(H,26,27)