[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-ethyl-pyrazol-4-yl]-(3-methyl-4-naphthalen-1-ylsulfonyl-piperazin-1-yl)methanone

Systemtic Name: [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-ethyl-pyrazol-4-yl]-(3-methyl-4-naphthalen-1-ylsulfonyl-piperazin-1-yl)methanone Openeye Name: [1-(4-tert-butylthiazol-2-yl)-5-ethyl-pyrazol-4-yl]-[3-methyl-4-(1-naphthylsulfonyl)piperazin-1-yl]methanone CAS Name: [1-(4-tert-butyl-2-thiazolyl)-5-ethyl-4-pyrazolyl]-[3-methyl-4-(1-naphthalenylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-ethylpyrazol-4-yl]-(3-methyl-4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [1-(4-tert-butylthiazol-2-yl)-5-ethyl-pyrazol-4-yl]-[3-methyl-4-(1-naphthylsulfonyl)piperazino]methanone Formula: C28H33N5O3S2 MolecularWeight: 551.72332

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NC(=CS2)C(C)(C)C)C(=O)N3CCN(C(C3)C)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CCC1=C(C=NN1C2=NC(=CS2)C(C)(C)C)C(=O)N3CCN(C(C3)C)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H33N5O3S2/c1-6-23-22(16-29-33(23)27-30-25(18-37-27)28(3,4)5)26(34)31-14-15-32(19(2)17-31)38(35,36)24-13-9-11-20-10-7-8-12-21(20)24/h7-13,16,18-19H,6,14-15,17H2,1-5H3