4-methoxy-3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoyl]benzenesulfonamide Openeye Name: 4-methoxy-3-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]carbamoyl]benzenesulfonamide CAS Name: 4-methoxy-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]carbamoyl]benzenesulfonamide Traditional Name: 4-methoxy-3-[[[2-[methyl(tosyl)amino]acetyl]amino]carbamoyl]benzenesulfonamide Formula: C18H22N4O7S2 MolecularWeight: 470.51988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChI

InChI=1S/C18H22N4O7S2/c1-12-4-6-13(7-5-12)31(27,28)22(2)11-17(23)20-21-18(24)15-10-14(30(19,25)26)8-9-16(15)29-3/h4-10H,11H2,1-3H3,(H,20,23)(H,21,24)(H2,19,25,26)