N-methyl-N-(1-methylpiperidin-4-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-4-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-methyl-N-(1-methyl-4-piperidyl)-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-methyl-N-(1-methyl-4-piperidinyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-methyl-N-(1-methylpiperidin-4-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-methyl-N-(1-methyl-4-piperidyl)-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)N(C)S(=O)(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2S2/c1-23-12-10-18(11-13-23)24(2)29(26,27)20-16-25(15-17-7-4-3-5-8-17)22-21(20)19-9-6-14-28-19/h3-9,14,16,18H,10-13,15H2,1-2H3