2-[2-[(6-carbamimidoyl-1-methylsulfonyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-methylsulfonyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-methylsulfonyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-methylsulfonyl-3-indolyl)methyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-methylsulfonylindol-3-yl)methyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(6-amidino-1-mesyl-indol-3-yl)methyl]phenyl]-5-methoxy-benzoic acid Formula: C25H23N3O5S MolecularWeight: 477.53222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2CC3=CN(C4=C3C=CC(=C4)C(=N)N)S(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2CC3=CN(C4=C3C=CC(=C4)C(=N)N)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C25H23N3O5S/c1-33-18-8-10-21(22(13-18)25(29)30)19-6-4-3-5-15(19)11-17-14-28(34(2,31)32)23-12-16(24(26)27)7-9-20(17)23/h3-10,12-14H,11H2,1-2H3,(H3,26,27)(H,29,30)