2-azanyl-5-(4-bromophenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-(4-bromophenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)benzoic acid Openeye Name: 2-amino-5-(4-bromophenyl)sulfonyl-3-methyl-4-(3-pyridylmethyl)benzoic acid CAS Name: 2-amino-5-(4-bromophenyl)sulfonyl-3-methyl-4-(3-pyridinylmethyl)benzoic acid IUPAC Name: 2-amino-5-(4-bromophenyl)sulfonyl-3-methyl-4-(pyridin-3-ylmethyl)benzoic acid Traditional Name: 2-amino-5-brosyl-3-methyl-4-(3-pyridylmethyl)benzoic acid Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4S/c1-12-16(9-13-3-2-8-23-11-13)18(10-17(19(12)22)20(24)25)28(26,27)15-6-4-14(21)5-7-15/h2-8,10-11H,9,22H2,1H3,(H,24,25)