methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]acetate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]acetate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]acetic acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H22N2O5S/c1-23-15(19)12-17-16(20)13-6-8-14(9-7-13)24(21,22)18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,20)