3-bromanyl-1-[2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]piperazine

Systemtic Name: 3-bromanyl-1-[2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 1-(2-benzyl-4-isopropylsulfonyl-phenyl)-3-bromo-piperazine CAS Name: 3-bromo-1-[2-(phenylmethyl)-4-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 1-(2-benzyl-4-propan-2-ylsulfonylphenyl)-3-bromopiperazine Traditional Name: 1-(2-benzyl-4-isopropylsulfonyl-phenyl)-3-bromo-piperazine Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H25BrN2O2S/c1-15(2)26(24,25)18-8-9-19(23-11-10-22-20(21)14-23)17(13-18)12-16-6-4-3-5-7-16/h3-9,13,15,20,22H,10-12,14H2,1-2H3