5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(ethylsulfonylamino)phenyl]benzoic acid

Systemtic Name: 5-aminocarbonyl-2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(ethylsulfonylamino)phenyl]benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(ethylsulfonylamino)phenyl]-5-carbamoyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(ethylsulfonylamino)phenyl]-5-carbamoylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(ethylsulfonylamino)phenyl]-5-carbamoylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)-5-(esylamino)phenyl]-5-carbamoyl-benzoic acid Formula: C33H33N5O5S MolecularWeight: 611.71062

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=CC(=C1)C2CC(C3=C(N2)C=CC(=C3)C(=N)N)(C)C4=CC=CC=C4)C5=C(C=C(C=C5)C(=O)N)C(=O)O

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=CC(=C1)C2CC(C3=C(N2)C=CC(=C3)C(=N)N)(C)C4=CC=CC=C4)C5=C(C=C(C=C5)C(=O)N)C(=O)O

InChI

InChI=1S/C33H33N5O5S/c1-3-44(42,43)38-24-14-21(25-11-9-20(31(36)39)16-26(25)32(40)41)13-22(15-24)29-18-33(2,23-7-5-4-6-8-23)27-17-19(30(34)35)10-12-28(27)37-29/h4-17,29,37-38H,3,18H2,1-2H3,(H3,34,35)(H2,36,39)(H,40,41)