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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

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