[(2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-yl-piperazin-1-yl]-phenyl-methanone

Systemtic Name: [(2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-yl-piperazin-1-yl]-phenyl-methanone Openeye Name: [(2R,5S)-2-(chloromethyl)-5-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazin-1-yl]-phenyl-methanone CAS Name: [(2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-yl-1-piperazinyl]-phenylmethanone IUPAC Name: [(2R,5S)-2-(chloromethyl)-4-(2-nitrophenyl)sulfonyl-5-propan-2-ylpiperazin-1-yl]-phenylmethanone Traditional Name: [(2R,5S)-2-(chloromethyl)-5-isopropyl-4-(2-nitrophenyl)sulfonyl-piperazino]-phenyl-methanone Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(C(CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H]1CN([C@H](CN1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])CCl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O5S/c1-15(2)19-14-23(21(26)16-8-4-3-5-9-16)17(12-22)13-24(19)31(29,30)20-11-7-6-10-18(20)25(27)28/h3-11,15,17,19H,12-14H2,1-2H3/t17-,19+/m0/s1