2-azanyl-3-(2-hydroxyethyloxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3-(2-hydroxyethyloxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-(2-hydroxyethoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-(2-hydroxyethoxy)-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-(2-hydroxyethoxy)-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(2-hydroxyethoxy)-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C23H23NO7S MolecularWeight: 457.49622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCO)N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCCO)N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C23H23NO7S/c1-30-17-7-9-18(10-8-17)32(28,29)22-16(13-15-5-3-2-4-6-15)14-19(23(26)27)20(24)21(22)31-12-11-25/h2-10,14,25H,11-13,24H2,1H3,(H,26,27)