[4-(2-azanylethylsulfonyl)piperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(2-azanylethylsulfonyl)piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(2-aminoethylsulfonyl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-(2-aminoethylsulfonyl)-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-(2-aminoethylsulfonyl)piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: o-tolyl-(4-taurylpiperazino)methanone Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)CCN

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)CCN

InChI

InChI=1S/C14H21N3O3S/c1-12-4-2-3-5-13(12)14(18)16-7-9-17(10-8-16)21(19,20)11-6-15/h2-5H,6-11,15H2,1H3