2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(3-chloranyl-4-methyl-phenyl)sulfonylamino]phenyl]benzoic acid

Systemtic Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(3-chloranyl-4-methyl-phenyl)sulfonylamino]phenyl]benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-2-naphthyl)oxy]-5-[(3-chloro-4-methyl-phenyl)sulfonylamino]phenyl]benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-2-naphthalenyl)oxy]-5-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]benzoic acid IUPAC Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]benzoic acid Traditional Name: 2-[2-(6-amidino-2-naphthoxy)-5-[(3-chloro-4-methyl-phenyl)sulfonylamino]phenyl]benzoic acid Formula: C31H24ClN3O5S MolecularWeight: 586.05736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O)Cl

InChI

InChI=1S/C31H24ClN3O5S/c1-18-6-12-24(17-28(18)32)41(38,39)35-22-10-13-29(27(16-22)25-4-2-3-5-26(25)31(36)37)40-23-11-9-19-14-21(30(33)34)8-7-20(19)15-23/h2-17,35H,1H3,(H3,33,34)(H,36,37)