2-azanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-azanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 2-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]butan-1-one CAS Name: 2-amino-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]butan-1-one Traditional Name: 2-amino-1-(4-besylpiperazino)butan-1-one Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C14H21N3O3S/c1-2-13(15)14(18)16-8-10-17(11-9-16)21(19,20)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3