1-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3(CCCCC3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3(CCCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O5S/c24-19(16-21(20(25)26)11-4-3-5-12-21)22-17-9-8-10-18(15-17)29(27,28)23-13-6-1-2-7-14-23/h8-10,15H,1-7,11-14,16H2,(H,22,24)(H,25,26)