1-[4-chloranyl-3-(2-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-phenyl]-4-ethyl-piperazine

Systemtic Name: 1-[4-chloranyl-3-(2-methylphenyl)-5-pyrrolidin-1-ylsulfonyl-phenyl]-4-ethyl-piperazine Openeye Name: 1-[4-chloro-3-(o-tolyl)-5-pyrrolidin-1-ylsulfonyl-phenyl]-4-ethyl-piperazine CAS Name: 1-[4-chloro-3-(2-methylphenyl)-5-(1-pyrrolidinylsulfonyl)phenyl]-4-ethylpiperazine IUPAC Name: 1-[4-chloro-3-(2-methylphenyl)-5-pyrrolidin-1-ylsulfonylphenyl]-4-ethylpiperazine Traditional Name: 1-[4-chloro-3-(o-tolyl)-5-pyrrolidinosulfonyl-phenyl]-4-ethyl-piperazine Formula: C23H30ClN3O2S MolecularWeight: 448.0212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3C)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C(=C2)C3=CC=CC=C3C)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H30ClN3O2S/c1-3-25-12-14-26(15-13-25)19-16-21(20-9-5-4-8-18(20)2)23(24)22(17-19)30(28,29)27-10-6-7-11-27/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3