(2S)-N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N,N-dimethyl-1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N,N-dimethyl-1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N,N-dimethyl-1-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]pyrrolidine-2-carboxamide Formula: C18H27N5O5S MolecularWeight: 425.50248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@H]3C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O5S/c1-19(2)18(24)16-5-4-8-22(16)15-7-6-14(13-17(15)23(25)26)29(27,28)21-11-9-20(3)10-12-21/h6-7,13,16H,4-5,8-12H2,1-3H3/t16-/m0/s1