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

Systemtic Name: (2S)-N,N-dimethyl-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N,N-dimethyl-1-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N,N-dimethyl-1-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N,N-dimethyl-1-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N,N-dimethyl-1-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]pyrrolidine-2-carboxamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC[C@H]3C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-14-8-11-21(12-9-14)29(27,28)15-6-7-16(18(13-15)23(25)26)22-10-4-5-17(22)19(24)20(2)3/h6-7,13-14,17H,4-5,8-12H2,1-3H3/t17-/m0/s1