N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-methyl-quinoline-8-sulfonamide Openeye Name: N-[4-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidine-1-carbonyl)butyl]-3-methyl-quinoline-8-sulfonamide CAS Name: N-[5-(1H-imidazol-2-ylthio)-1-(4-methyl-1-piperidinyl)-1-oxopentan-2-yl]-3-methyl-8-quinolinesulfonamide IUPAC Name: N-[5-(1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]-3-methylquinoline-8-sulfonamide Traditional Name: N-[4-(1H-imidazol-2-ylthio)-1-(4-methylpiperidine-1-carbonyl)butyl]-3-methyl-quinoline-8-sulfonamide Formula: C24H31N5O3S2 MolecularWeight: 501.66464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CCCSC2=NC=CN2)NS(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CCCSC2=NC=CN2)NS(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

InChI=1S/C24H31N5O3S2/c1-17-8-12-29(13-9-17)23(30)20(6-4-14-33-24-25-10-11-26-24)28-34(31,32)21-7-3-5-19-15-18(2)16-27-22(19)21/h3,5,7,10-11,15-17,20,28H,4,6,8-9,12-14H2,1-2H3,(H,25,26)