5-chloranyl-1,3-dimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1,3-dimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1,3-dimethyl-N-[[5-(1-piperidylsulfonyl)-2-thienyl]methyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1,3-dimethyl-N-[[5-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1,3-dimethyl-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1,3-dimethyl-N-[(5-piperidinosulfonyl-2-thienyl)methyl]pyrazole-4-carboxamide Formula: C16H21ClN4O3S2 MolecularWeight: 416.94594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCCC3)Cl)C

InChI

InChI=1S/C16H21ClN4O3S2/c1-11-14(15(17)20(2)19-11)16(22)18-10-12-6-7-13(25-12)26(23,24)21-8-4-3-5-9-21/h6-7H,3-5,8-10H2,1-2H3,(H,18,22)