[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3CCC=CC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C21H28N2O5S/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/h3-4,10-13,17H,1-2,5-9,14-16H2,(H,22,24)/t17-/m1/s1