3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(2-naphthylsulfonyl)piperazino]propan-1-one Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N1)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NN(C(=N1)C)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H25N5O3S/c1-16-22-17(2)26(23-16)10-9-21(27)24-11-13-25(14-12-24)30(28,29)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,15H,9-14H2,1-2H3