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

Systemtic Name: 3-ethoxy-1-[2-(phenylmethyl)-4-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 1-(2-benzyl-4-isopropylsulfonyl-phenyl)-3-ethoxy-piperazine CAS Name: 3-ethoxy-1-[2-(phenylmethyl)-4-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 1-(2-benzyl-4-propan-2-ylsulfonylphenyl)-3-ethoxypiperazine Traditional Name: 1-(2-benzyl-4-isopropylsulfonyl-phenyl)-3-ethoxy-piperazine Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3S/c1-4-27-22-16-24(13-12-23-22)21-11-10-20(28(25,26)17(2)3)15-19(21)14-18-8-6-5-7-9-18/h5-11,15,17,22-23H,4,12-14,16H2,1-3H3