2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]amino]benzoic acid CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-methylphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-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)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-15-10-11-16(20(24)22-18-9-5-4-8-17(18)21(25)26)14-19(15)29(27,28)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24)(H,25,26)