5-[(3-methylphenyl)sulfinylmethyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxamide

Systemtic Name: 5-[(3-methylphenyl)sulfinylmethyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)ethyl]-5-(m-tolylsulfinylmethyl)furan-2-carboxamide CAS Name: 5-[(3-methylphenyl)sulfinylmethyl]-N-[2-(4-methyl-1-piperazinyl)ethyl]-2-furancarboxamide IUPAC Name: 5-[(3-methylphenyl)sulfinylmethyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]furan-2-carboxamide Traditional Name: N-[2-(4-methylpiperazino)ethyl]-5-(m-tolylsulfinylmethyl)-2-furamide Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCCN3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCCN3CCN(CC3)C

InChI

InChI=1S/C20H27N3O3S/c1-16-4-3-5-18(14-16)27(25)15-17-6-7-19(26-17)20(24)21-8-9-23-12-10-22(2)11-13-23/h3-7,14H,8-13,15H2,1-2H3,(H,21,24)