ethyl 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(phenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate

Systemtic Name: ethyl 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(phenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate Openeye Name: ethyl 4-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propyl]-3-carbamimidoyl-benzoate CAS Name: 4-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-carbamimidoylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-carbamimidoylbenzoate Traditional Name: 3-amidino-4-[3-[6-(benzenesulfonamido)-3,4-dihydro-2H-quinolin-1-yl]-3-keto-propyl]benzoic acid ethyl ester Formula: C28H30N4O5S MolecularWeight: 534.6266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)CCC(=O)N2CCCC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)CCC(=O)N2CCCC3=C2C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C28H30N4O5S/c1-2-37-28(34)21-11-10-19(24(18-21)27(29)30)12-15-26(33)32-16-6-7-20-17-22(13-14-25(20)32)31-38(35,36)23-8-4-3-5-9-23/h3-5,8-11,13-14,17-18,31H,2,6-7,12,15-16H2,1H3,(H3,29,30)