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

Systemtic Name: 4-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methyl-benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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