N-butyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide hydrochloride

Systemtic Name: N-butyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-3H-benzimidazole-5-sulfonamide hydrochloride Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-butyl-3H-benzimidazole-5-sulfonamide hydrochloride CAS Name: N-butyl-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-3H-benzimidazole-5-sulfonamide hydrochloride IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-butyl-3H-benzimidazole-5-sulfonamide hydrochloride Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-N-butyl-3H-benzimidazole-5-sulfonamide hydrochloride Formula: C25H33ClN4O3S2 MolecularWeight: 537.13752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H32N4O3S2.ClH/c1-2-3-13-26-34(31,32)21-9-10-22-23(17-21)28-25(27-22)33-18-24(30)29-14-11-20(12-15-29)16-19-7-5-4-6-8-19;/h4-10,17,20,26H,2-3,11-16,18H2,1H3,(H,27,28);1H