N,N-diethyl-4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonyl-piperazine-1-sulfonamide Openeye Name: 4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinesulfonamide IUPAC Name: 4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3S2/c1-3-27(4-2)33(30,31)28-14-12-25(13-15-28)23(29)20-18-26(17-19-9-6-5-7-10-19)24-22(20)21-11-8-16-32-21/h5-11,16,18H,3-4,12-15,17H2,1-2H3