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

Systemtic Name: hexyl 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(phenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C32H38N4O5S MolecularWeight: 590.73292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCOC(=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/C32H38N4O5S/c1-2-3-4-8-20-41-32(38)25-14-13-23(28(22-25)31(33)34)15-18-30(37)36-19-9-10-24-21-26(16-17-29(24)36)35-42(39,40)27-11-6-5-7-12-27/h5-7,11-14,16-17,21-22,35H,2-4,8-10,15,18-20H2,1H3,(H3,33,34)