octyl 3-carbamimidoyl-4-[3-[6-[(2-ethoxy-2-oxidanylidene-ethyl)-quinolin-8-ylsulfonyl-amino]-3,4-dihydro-2H-quinolin-1-yl]-3-oxidanylidene-propyl]benzoate

Systemtic Name: octyl 3-carbamimidoyl-4-[3-[6-[(2-ethoxy-2-oxidanylidene-ethyl)-quinolin-8-ylsulfonyl-amino]-3,4-dihydro-2H-quinolin-1-yl]-3-oxidanylidene-propyl]benzoate Openeye Name: octyl 3-carbamimidoyl-4-[3-[6-[(2-ethoxy-2-oxo-ethyl)-(8-quinolylsulfonyl)amino]-3,4-dihydro-2H-quinolin-1-yl]-3-oxo-propyl]benzoate CAS Name: 3-carbamimidoyl-4-[3-[6-[(2-ethoxy-2-oxoethyl)-(8-quinolinylsulfonyl)amino]-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzoic acid octyl ester IUPAC Name: octyl 3-carbamimidoyl-4-[3-[6-[(2-ethoxy-2-oxoethyl)-quinolin-8-ylsulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]benzoate Traditional Name: 3-amidino-4-[3-[6-[(2-ethoxy-2-keto-ethyl)-(8-quinolylsulfonyl)amino]-3,4-dihydro-2H-quinolin-1-yl]-3-keto-propyl]benzoic acid octyl ester Formula: C41H49N5O7S MolecularWeight: 755.92206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=C(C=C1)CCC(=O)N2CCCC3=C2C=CC(=C3)N(CC(=O)OCC)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C(=N)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=C(C=C1)CCC(=O)N2CCCC3=C2C=CC(=C3)N(CC(=O)OCC)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C(=N)N

InChI

InChI=1S/C41H49N5O7S/c1-3-5-6-7-8-9-25-53-41(49)32-18-17-29(34(27-32)40(42)43)19-22-37(47)45-24-12-15-31-26-33(20-21-35(31)45)46(28-38(48)52-4-2)54(50,51)36-16-10-13-30-14-11-23-44-39(30)36/h10-11,13-14,16-18,20-21,23,26-27H,3-9,12,15,19,22,24-25,28H2,1-2H3,(H3,42,43)