4-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]benzoic acid CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methylbenzoyl]amino]benzoic acid Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-methyl-benzoyl]amino]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O5S/c1-15-6-11-18(29(27,28)23-12-4-2-3-5-13-23)14-19(15)20(24)22-17-9-7-16(8-10-17)21(25)26/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)(H,25,26)