[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCCCC3

InChI

InChI=1S/C21H30N2O5S/c24-20(16-28-21(25)17-8-4-3-5-9-17)22-18-10-12-19(13-11-18)29(26,27)23-14-6-1-2-7-15-23/h10-13,17H,1-9,14-16H2,(H,22,24)