[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-[methyl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-[methyl(2-thenyl)amino]ethyl] ester Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O5S2/c1-23(14-17-7-6-12-30-17)20(25)15-29-21(26)16-8-9-18(22)19(13-16)31(27,28)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14-15H2,1H3