N-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)carbonyl-1H-pyrazole-5-sulfonamide

Systemtic Name: N-(4-ethoxyphenyl)-3-(4-methylpiperazin-1-yl)carbonyl-1H-pyrazole-5-sulfonamide Openeye Name: N-(4-ethoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide CAS Name: N-(4-ethoxyphenyl)-3-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyrazole-5-sulfonamide IUPAC Name: N-(4-ethoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-pyrazole-5-sulfonamide Traditional Name: 3-(4-methylpiperazine-1-carbonyl)-N-p-phenetyl-1H-pyrazole-5-sulfonamide Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=NN2)C(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=NN2)C(=O)N3CCN(CC3)C

InChI

InChI=1S/C17H23N5O4S/c1-3-26-14-6-4-13(5-7-14)20-27(24,25)16-12-15(18-19-16)17(23)22-10-8-21(2)9-11-22/h4-7,12,20H,3,8-11H2,1-2H3,(H,18,19)