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

Systemtic Name: 3-ethoxy-1-(2-phenyl-4-propan-2-ylsulfonyl-phenyl)piperazine Openeye Name: 3-ethoxy-1-(4-isopropylsulfonyl-2-phenyl-phenyl)piperazine CAS Name: 3-ethoxy-1-(2-phenyl-4-propan-2-ylsulfonylphenyl)piperazine IUPAC Name: 3-ethoxy-1-(2-phenyl-4-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 3-ethoxy-1-(4-isopropylsulfonyl-2-phenyl-phenyl)piperazine Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S/c1-4-26-21-15-23(13-12-22-21)20-11-10-18(27(24,25)16(2)3)14-19(20)17-8-6-5-7-9-17/h5-11,14,16,21-22H,4,12-13,15H2,1-3H3