1-[2-(3,5-dimethylphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazine

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[2-(3,5-dimethylphenoxy)ethyl]piperazine CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[2-(3,5-dimethylphenoxy)ethyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[2-(3,5-dimethylphenoxy)ethyl]piperazine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H28N2O3S/c1-18-14-19(2)16-21(15-18)26-13-12-22-8-10-23(11-9-22)27(24,25)17-20-6-4-3-5-7-20/h3-7,14-16H,8-13,17H2,1-2H3