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

Systemtic Name: N-[2-chloranyl-5-(4-ethylpiperazin-1-yl)-3-(2-methanoylphenyl)phenyl]propane-1-sulfonamide Openeye Name: N-[2-chloro-5-(4-ethylpiperazin-1-yl)-3-(2-formylphenyl)phenyl]propane-1-sulfonamide CAS Name: N-[2-chloro-5-(4-ethyl-1-piperazinyl)-3-(2-formylphenyl)phenyl]-1-propanesulfonamide IUPAC Name: N-[2-chloro-5-(4-ethylpiperazin-1-yl)-3-(2-formylphenyl)phenyl]propane-1-sulfonamide Traditional Name: N-[2-chloro-5-(4-ethylpiperazino)-3-(2-formylphenyl)phenyl]propane-1-sulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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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=O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-3-13-30(28,29)24-21-15-18(26-11-9-25(4-2)10-12-26)14-20(22(21)23)19-8-6-5-7-17(19)16-27/h5-8,14-16,24H,3-4,9-13H2,1-2H3