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

Systemtic Name: 5-[(3-methylphenyl)sulfinylmethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]furan-2-carboxamide Openeye Name: N-[3-(4-methylpiperazin-1-yl)propyl]-5-(m-tolylsulfinylmethyl)furan-2-carboxamide CAS Name: 5-[(3-methylphenyl)sulfinylmethyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(3-methylphenyl)sulfinylmethyl]-N-[3-(4-methylpiperazin-1-yl)propyl]furan-2-carboxamide Traditional Name: N-[3-(4-methylpiperazino)propyl]-5-(m-tolylsulfinylmethyl)-2-furamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCCCN3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCCCN3CCN(CC3)C

InChI

InChI=1S/C21H29N3O3S/c1-17-5-3-6-19(15-17)28(26)16-18-7-8-20(27-18)21(25)22-9-4-10-24-13-11-23(2)12-14-24/h3,5-8,15H,4,9-14,16H2,1-2H3,(H,22,25)