3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(4-besylpiperazino)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-one Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S/c1-14-18-15(2)22(19-14)9-8-17(23)20-10-12-21(13-11-20)26(24,25)16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3