3-chloranyl-N-[(2S)-1-oxidanylidene-1-(4-phenethylpiperazin-1-yl)propan-2-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(2S)-1-oxidanylidene-1-(4-phenethylpiperazin-1-yl)propan-2-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[(1S)-1-methyl-2-oxo-2-(4-phenethylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: 3-chloro-N-[(2S)-1-oxo-1-(4-phenethyl-1-piperazinyl)propan-2-yl]benzenesulfonamide IUPAC Name: 3-chloro-N-[(2S)-1-oxo-1-(4-phenethylpiperazin-1-yl)propan-2-yl]benzenesulfonamide Traditional Name: 3-chloro-N-[(1S)-2-keto-1-methyl-2-(4-phenethylpiperazino)ethyl]benzenesulfonamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCC2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CCC2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-17(23-29(27,28)20-9-5-8-19(22)16-20)21(26)25-14-12-24(13-15-25)11-10-18-6-3-2-4-7-18/h2-9,16-17,23H,10-15H2,1H3/t17-/m0/s1