methyl 2-methyl-5-[[methyl-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-amino]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[methyl-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-amino]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[methyl-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[methyl-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[methyl-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]furan-3-carboxylate Traditional Name: 5-[[[3-(3-ketopiperazino)sulfonylbenzoyl]-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H23N3O7S MolecularWeight: 449.47752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C(=O)OC

InChI

InChI=1S/C20H23N3O7S/c1-13-17(20(26)29-3)10-15(30-13)11-22(2)19(25)14-5-4-6-16(9-14)31(27,28)23-8-7-21-18(24)12-23/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,21,24)