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

Systemtic Name: (phenylmethyl) 3-carbamimidoyl-4-[3-[6-(naphthalen-1-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxidanylidene-propyl]benzoate Openeye Name: benzyl 3-carbamimidoyl-4-[3-[6-(1-naphthylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propyl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[6-(1-naphthalenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-carbamimidoyl-4-[3-[6-(naphthalen-1-ylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzoate Traditional Name: 3-amidino-4-[3-keto-3-[6-(1-naphthylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoic acid benzyl ester Formula: C37H34N4O5S MolecularWeight: 646.75466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)N(C1)C(=O)CCC5=C(C=C(C=C5)C(=O)OCC6=CC=CC=C6)C(=N)N

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43)N(C1)C(=O)CCC5=C(C=C(C=C5)C(=O)OCC6=CC=CC=C6)C(=N)N

InChI

InChI=1S/C37H34N4O5S/c38-36(39)32-23-29(37(43)46-24-25-8-2-1-3-9-25)16-15-27(32)17-20-35(42)41-21-7-12-28-22-30(18-19-33(28)41)40-47(44,45)34-14-6-11-26-10-4-5-13-31(26)34/h1-6,8-11,13-16,18-19,22-23,40H,7,12,17,20-21,24H2,(H3,38,39)