2-azanyl-4-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-4-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-benzoic acid CAS Name: 2-amino-4-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3,6-dimethylbenzoic acid Traditional Name: 2-amino-5-benzyl-4-(4-methoxyphenyl)sulfonyl-3,6-dimethyl-benzoic acid Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC)C)N)C(=O)O

InChI

InChI=1S/C23H23NO5S/c1-14-19(13-16-7-5-4-6-8-16)22(15(2)21(24)20(14)23(25)26)30(27,28)18-11-9-17(29-3)10-12-18/h4-12H,13,24H2,1-3H3,(H,25,26)