3-azanyl-6-[(4-azanyl-3-methoxy-phenyl)-phenyl-methyl]-2-methoxy-benzenesulfonic acid

Systemtic Name: 3-azanyl-6-[(4-azanyl-3-methoxy-phenyl)-phenyl-methyl]-2-methoxy-benzenesulfonic acid Openeye Name: 3-amino-6-[(4-amino-3-methoxy-phenyl)-phenyl-methyl]-2-methoxy-benzenesulfonic acid CAS Name: 3-amino-6-[(4-amino-3-methoxyphenyl)-phenylmethyl]-2-methoxybenzenesulfonic acid IUPAC Name: 3-amino-6-[(4-amino-3-methoxyphenyl)-phenylmethyl]-2-methoxybenzenesulfonic acid Traditional Name: 3-amino-6-[(4-amino-3-methoxy-phenyl)-phenyl-methyl]-2-methoxy-besylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=C(C(=C(C=C3)N)OC)S(=O)(=O)O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CC=C2)C3=C(C(=C(C=C3)N)OC)S(=O)(=O)O)N

InChI

InChI=1S/C21H22N2O5S/c1-27-18-12-14(8-10-16(18)22)19(13-6-4-3-5-7-13)15-9-11-17(23)20(28-2)21(15)29(24,25)26/h3-12,19H,22-23H2,1-2H3,(H,24,25,26)