2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-prop-2-ynyl-benzoic acid

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-prop-2-ynyl-benzoic acid Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-prop-2-ynyl-benzoic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-prop-2-ynylbenzoic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-prop-2-ynylbenzoic acid Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-3-methyl-4-propargyl-benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1CC#C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O)N

Isomeric SMILES

CC1=C(C(=CC(=C1CC#C)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O)N

InChI

InChI=1S/C18H17NO5S/c1-4-5-14-11(2)17(19)15(18(20)21)10-16(14)25(22,23)13-8-6-12(24-3)7-9-13/h1,6-10H,5,19H2,2-3H3,(H,20,21)