[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

Isomeric SMILES

CC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C16H21ClN2O5S/c1-12(20)24-11-16(21)18-15-10-13(6-7-14(15)17)25(22,23)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,21)