1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-(4-tosylpiperazino)-3-(1,2,4-triazol-1-yl)propan-1-one Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=NC=N3

InChI

InChI=1S/C16H21N5O3S/c1-14-2-4-15(5-3-14)25(23,24)21-10-8-19(9-11-21)16(22)6-7-20-13-17-12-18-20/h2-5,12-13H,6-11H2,1H3