N-[1-(4-ethylpiperidin-1-yl)-4-(1H-imidazol-5-ylmethylsulfanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-quinoline-8-sulfonamide hydrochloride

Systemtic Name: N-[1-(4-ethylpiperidin-1-yl)-4-(1H-imidazol-5-ylmethylsulfanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-quinoline-8-sulfonamide hydrochloride Openeye Name: N-[1-(4-ethylpiperidine-1-carbonyl)-3-(1H-imidazol-5-ylmethylsulfanyl)propyl]-3-methyl-quinoline-8-sulfonamide hydrochloride CAS Name: N-[1-(4-ethyl-1-piperidinyl)-4-(1H-imidazol-5-ylmethylthio)-1-oxobutan-2-yl]-3-methyl-8-quinolinesulfonamide hydrochloride IUPAC Name: N-[1-(4-ethylpiperidin-1-yl)-4-(1H-imidazol-5-ylmethylsulfanyl)-1-oxobutan-2-yl]-3-methylquinoline-8-sulfonamide hydrochloride Traditional Name: N-[1-(4-ethylpiperidine-1-carbonyl)-3-(1H-imidazol-5-ylmethylthio)propyl]-3-methyl-quinoline-8-sulfonamide hydrochloride Formula: C25H34ClN5O3S2 MolecularWeight: 552.15216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)C(=O)C(CCSCC2=CN=CN2)NS(=O)(=O)C3=CC=CC4=CC(=CN=C43)C.Cl

Isomeric SMILES

CCC1CCN(CC1)C(=O)C(CCSCC2=CN=CN2)NS(=O)(=O)C3=CC=CC4=CC(=CN=C43)C.Cl

InChI

InChI=1S/C25H33N5O3S2.ClH/c1-3-19-7-10-30(11-8-19)25(31)22(9-12-34-16-21-15-26-17-28-21)29-35(32,33)23-6-4-5-20-13-18(2)14-27-24(20)23;/h4-6,13-15,17,19,22,29H,3,7-12,16H2,1-2H3,(H,26,28);1H