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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)CC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)CC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

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