3-ethoxy-1-[2-(phenylsulfonyl)-4-propan-2-ylsulfonyl-phenyl]piperazine

Systemtic Name: 3-ethoxy-1-[2-(phenylsulfonyl)-4-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 1-[2-(benzenesulfonyl)-4-isopropylsulfonyl-phenyl]-3-ethoxy-piperazine CAS Name: 1-[2-(benzenesulfonyl)-4-propan-2-ylsulfonylphenyl]-3-ethoxypiperazine IUPAC Name: 1-[2-(benzenesulfonyl)-4-propan-2-ylsulfonylphenyl]-3-ethoxypiperazine Traditional Name: 1-(2-besyl-4-isopropylsulfonyl-phenyl)-3-ethoxy-piperazine Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O5S2/c1-4-28-21-15-23(13-12-22-21)19-11-10-18(29(24,25)16(2)3)14-20(19)30(26,27)17-8-6-5-7-9-17/h5-11,14,16,21-22H,4,12-13,15H2,1-3H3