1-(5-chloranyl-2-methyl-phenyl)-4-(3-piperidin-1-ylsulfonylphenyl)sulfonyl-piperazine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-(3-piperidin-1-ylsulfonylphenyl)sulfonyl-piperazine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-[3-(1-piperidylsulfonyl)phenyl]sulfonyl-piperazine CAS Name: 1-(5-chloro-2-methylphenyl)-4-[3-(1-piperidinylsulfonyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-(3-piperidin-1-ylsulfonylphenyl)sulfonylpiperazine Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-(3-piperidinosulfonylphenyl)sulfonyl-piperazine Formula: C22H28ClN3O4S2 MolecularWeight: 498.05842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H28ClN3O4S2/c1-18-8-9-19(23)16-22(18)24-12-14-26(15-13-24)32(29,30)21-7-5-6-20(17-21)31(27,28)25-10-3-2-4-11-25/h5-9,16-17H,2-4,10-15H2,1H3