1-[[3-(2-methylpropoxy)phenyl]methyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[[3-(2-methylpropoxy)phenyl]methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(3-isobutoxyphenyl)methyl]piperazine CAS Name: 1-(benzenesulfonyl)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazine Traditional Name: 1-besyl-4-(3-isobutoxybenzyl)piperazine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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