3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]furan-2-carboxamide

Systemtic Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]furan-2-carboxamide Openeye Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(1-piperidylsulfonyl)phenyl]furan-2-carboxamide CAS Name: 3-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(1-piperidinylsulfonyl)phenyl]-2-furancarboxamide IUPAC Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylphenyl]furan-2-carboxamide Traditional Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-piperidinosulfonyl-phenyl]-2-furamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H30N4O4S/c1-17-8-15-30-21(17)22(27)23-19-16-18(31(28,29)26-9-4-3-5-10-26)6-7-20(19)25-13-11-24(2)12-14-25/h6-8,15-16H,3-5,9-14H2,1-2H3,(H,23,27)/p+1