1-[5-(3-piperazin-1-ylsulfonylphenyl)pyridin-2-yl]-4-propan-2-yl-piperazine

Systemtic Name: 1-[5-(3-piperazin-1-ylsulfonylphenyl)pyridin-2-yl]-4-propan-2-yl-piperazine Openeye Name: 1-isopropyl-4-[5-(3-piperazin-1-ylsulfonylphenyl)-2-pyridyl]piperazine CAS Name: 1-[5-[3-(1-piperazinylsulfonyl)phenyl]-2-pyridinyl]-4-propan-2-ylpiperazine IUPAC Name: 1-[5-(3-piperazin-1-ylsulfonylphenyl)pyridin-2-yl]-4-propan-2-ylpiperazine Traditional Name: 1-isopropyl-4-[5-(3-piperazinosulfonylphenyl)-2-pyridyl]piperazine Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCNCC4

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCNCC4

InChI

InChI=1S/C22H31N5O2S/c1-18(2)25-12-14-26(15-13-25)22-7-6-20(17-24-22)19-4-3-5-21(16-19)30(28,29)27-10-8-23-9-11-27/h3-7,16-18,23H,8-15H2,1-2H3