N3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,3-disulfonamide Openeye Name: N3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,3-disulfonamide CAS Name: N3-[(S)-(3-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,3-disulfonamide Traditional Name: N'-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,3-disulfonamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CN1C=CN=C1[C@H](C2=CC(=CC=C2)OC)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H20N4O5S2/c1-22-10-9-20-18(22)17(13-5-3-6-14(11-13)27-2)21-29(25,26)16-8-4-7-15(12-16)28(19,23)24/h3-12,17,21H,1-2H3,(H2,19,23,24)/t17-/m0/s1