N-[2-chloranyl-5-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)phenyl]propane-1-sulfonamide

Systemtic Name: N-[2-chloranyl-5-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)phenyl]propane-1-sulfonamide Openeye Name: N-[2-chloro-5-(4-ethylpiperazin-1-yl)-3-(o-tolyl)phenyl]propane-1-sulfonamide CAS Name: N-[2-chloro-5-(4-ethyl-1-piperazinyl)-3-(2-methylphenyl)phenyl]-1-propanesulfonamide IUPAC Name: N-[2-chloro-5-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)phenyl]propane-1-sulfonamide Traditional Name: N-[2-chloro-5-(4-ethylpiperazino)-3-(o-tolyl)phenyl]propane-1-sulfonamide Formula: C22H30ClN3O2S MolecularWeight: 436.0105

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=C(C(=CC(=C1)N2CCN(CC2)CC)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCCS(=O)(=O)NC1=C(C(=CC(=C1)N2CCN(CC2)CC)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C22H30ClN3O2S/c1-4-14-29(27,28)24-21-16-18(26-12-10-25(5-2)11-13-26)15-20(22(21)23)19-9-7-6-8-17(19)3/h6-9,15-16,24H,4-5,10-14H2,1-3H3