3-chloranyl-N-[(2S)-3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(2S)-3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenesulfonamide Openeye Name: 3-chloro-N-[(1S)-2-methyl-1-[4-(3-methylbutanoyl)piperazine-1-carbonyl]propyl]benzenesulfonamide CAS Name: 3-chloro-N-[(2S)-3-methyl-1-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-1-oxobutan-2-yl]benzenesulfonamide IUPAC Name: 3-chloro-N-[(2S)-3-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide Traditional Name: 3-chloro-N-[(1S)-1-(4-isovalerylpiperazine-1-carbonyl)-2-methyl-propyl]benzenesulfonamide Formula: C20H30ClN3O4S MolecularWeight: 443.9879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3O4S/c1-14(2)12-18(25)23-8-10-24(11-9-23)20(26)19(15(3)4)22-29(27,28)17-7-5-6-16(21)13-17/h5-7,13-15,19,22H,8-12H2,1-4H3/t19-/m0/s1