1-ethyl-4-[3-(2-isocyanoethylsulfonyl)-4-methoxy-5-phenyl-phenyl]piperazine

Systemtic Name: 1-ethyl-4-[3-(2-isocyanoethylsulfonyl)-4-methoxy-5-phenyl-phenyl]piperazine Openeye Name: 1-ethyl-4-[3-(2-isocyanoethylsulfonyl)-4-methoxy-5-phenyl-phenyl]piperazine CAS Name: 1-ethyl-4-[3-(2-isocyanoethylsulfonyl)-4-methoxy-5-phenylphenyl]piperazine IUPAC Name: 1-ethyl-4-[3-(2-isocyanoethylsulfonyl)-4-methoxy-5-phenylphenyl]piperazine Traditional Name: 1-ethyl-4-[3-(2-isocyanoethylsulfonyl)-4-methoxy-5-phenyl-phenyl]piperazine Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3)OC)S(=O)(=O)CC[N+]#[C-]

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3)OC)S(=O)(=O)CC[N+]#[C-]

InChI

InChI=1S/C22H27N3O3S/c1-4-24-11-13-25(14-12-24)19-16-20(18-8-6-5-7-9-18)22(28-3)21(17-19)29(26,27)15-10-23-2/h5-9,16-17H,4,10-15H2,1,3H3