[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-(phenylmethyl)sulfonyl-azanide

Systemtic Name: [2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-(phenylmethyl)sulfonyl-azanide Openeye Name: benzylsulfonyl-[2-[1-[(1-ethylimidazol-2-yl)methyl]-4-piperidyl]pyrazol-3-yl]azanide CAS Name: [2-[1-[(1-ethyl-2-imidazolyl)methyl]-4-piperidinyl]-3-pyrazolyl]-(phenylmethyl)sulfonylazanide IUPAC Name: benzylsulfonyl-[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]azanide Traditional Name: benzylsulfonyl-[2-[1-[(1-ethylimidazol-2-yl)methyl]-4-piperidyl]pyrazol-3-yl]azanide Formula: C21H27N6O2S- MolecularWeight: 427.54308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1CN2CCC(CC2)N3C(=CC=N3)[N-]S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=CN=C1CN2CCC(CC2)N3C(=CC=N3)[N-]S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N6O2S/c1-2-26-15-12-22-21(26)16-25-13-9-19(10-14-25)27-20(8-11-23-27)24-30(28,29)17-18-6-4-3-5-7-18/h3-8,11-12,15,19H,2,9-10,13-14,16-17H2,1H3/q-1