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

Systemtic Name: methyl 3-carbamimidoyl-4-[3-oxidanylidene-3-[6-(phenylsulfonylamino)-3,4-dihydro-2H-quinolin-1-yl]propyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C27H28N4O5S/c1-36-27(33)20-10-9-18(23(17-20)26(28)29)11-14-25(32)31-15-5-6-19-16-21(12-13-24(19)31)30-37(34,35)22-7-3-2-4-8-22/h2-4,7-10,12-13,16-17,30H,5-6,11,14-15H2,1H3,(H3,28,29)