3-(2-ethylbutyl)-2-methylsulfonyl-1-phenyl-piperazin-2-amine

Systemtic Name: 3-(2-ethylbutyl)-2-methylsulfonyl-1-phenyl-piperazin-2-amine Openeye Name: 3-(2-ethylbutyl)-2-methylsulfonyl-1-phenyl-piperazin-2-amine CAS Name: 3-(2-ethylbutyl)-2-methylsulfonyl-1-phenyl-2-piperazinamine IUPAC Name: 3-(2-ethylbutyl)-2-methylsulfonyl-1-phenylpiperazin-2-amine Traditional Name: [3-(2-ethylbutyl)-2-mesyl-1-phenyl-piperazin-2-yl]amine Formula: C17H29N3O2S MolecularWeight: 339.49606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1C(N(CCN1)C2=CC=CC=C2)(N)S(=O)(=O)C

Isomeric SMILES

CCC(CC)CC1C(N(CCN1)C2=CC=CC=C2)(N)S(=O)(=O)C

InChI

InChI=1S/C17H29N3O2S/c1-4-14(5-2)13-16-17(18,23(3,21)22)20(12-11-19-16)15-9-7-6-8-10-15/h6-10,14,16,19H,4-5,11-13,18H2,1-3H3