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

Systemtic Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-(methylsulfonylamino)benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-(methanesulfonamido)benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-(methanesulfonamido)benzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-(methanesulfonamido)benzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-(methanesulfonamido)benzoic acid Formula: C31H30N4O4S MolecularWeight: 554.6593

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=C(C=C(C=C4)NS(=O)(=O)C)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=C(C=C(C=C4)NS(=O)(=O)C)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H30N4O4S/c1-31(22-9-4-3-5-10-22)18-28(34-27-14-11-21(29(32)33)16-26(27)31)20-8-6-7-19(15-20)24-13-12-23(35-40(2,38)39)17-25(24)30(36)37/h3-17,28,34-35H,18H2,1-2H3,(H3,32,33)(H,36,37)