3-azanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-azanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-amino-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-amino-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-amino-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-amino-1-(4-tosylpiperazino)propan-1-one Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCN

InChI

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