5-bromanyl-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid

Systemtic Name: 5-bromanyl-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 5-bromo-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 5-bromo-2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 5-bromo-2-[(4-methoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 5-bromo-2-[(4-methoxyphenyl)sulfonyl-methyl-amino]-3-methyl-benzoic acid Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)O)N(C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H16BrNO5S/c1-10-8-11(17)9-14(16(19)20)15(10)18(2)24(21,22)13-6-4-12(23-3)5-7-13/h4-9H,1-3H3,(H,19,20)