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2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid

2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid

Systemtic Name:2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
Openeye Name:2-(azepan-1-yl)-5-[(4-isopropylphenyl)sulfonylamino]benzoic acid
CAS Name:2-(1-azepanyl)-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
IUPAC Name:2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
Traditional Name:2-(azepan-1-yl)-5-(p-cumenylsulfonylamino)benzoic acid
Formula: C22H28N2O4S
MolecularWeight: 416.53372
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCCCCC3)C(=O)O


Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CCCCCC3)C(=O)O


InChI

InChI=1S/C22H28N2O4S/c1-16(2)17-7-10-19(11-8-17)29(27,28)23-18-9-12-21(20(15-18)22(25)26)24-13-5-3-4-6-14-24/h7-12,15-16,23H,3-6,13-14H2,1-2H3,(H,25,26)


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