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

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(phenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C33H32N4O5S MolecularWeight: 596.69598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=C(C=C(C=C4)C(=O)OCC5=CC=CC=C5)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=C(C=C(C=C4)C(=O)OCC5=CC=CC=C5)C(=N)N

InChI

InChI=1S/C33H32N4O5S/c34-32(35)29-21-26(33(39)42-22-23-8-3-1-4-9-23)14-13-24(29)15-18-31(38)37-19-7-10-25-20-27(16-17-30(25)37)36-43(40,41)28-11-5-2-6-12-28/h1-6,8-9,11-14,16-17,20-21,36H,7,10,15,18-19,22H2,(H3,34,35)