3-azanyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)thiophene-2-carboxylic acid

Systemtic Name: 3-azanyl-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)thiophene-2-carboxylic acid Openeye Name: 3-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 3-amino-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)-2-thiophenecarboxylic acid IUPAC Name: 3-amino-5-benzyl-4-(4-methoxyphenyl)sulfonylthiophene-2-carboxylic acid Traditional Name: 3-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-2-thenoic acid Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=C2N)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(SC(=C2N)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H17NO5S2/c1-25-13-7-9-14(10-8-13)27(23,24)18-15(11-12-5-3-2-4-6-12)26-17(16(18)20)19(21)22/h2-10H,11,20H2,1H3,(H,21,22)