N-[3-(dimethylamino)propyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carboxamide Formula: C17H27N5O5S MolecularWeight: 413.49178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)NCCCN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)NCCCN(C)C

InChI

InChI=1S/C17H27N5O5S/c1-14-5-6-15(22(24)25)13-16(14)28(26,27)21-11-9-20(10-12-21)17(23)18-7-4-8-19(2)3/h5-6,13H,4,7-12H2,1-3H3,(H,18,23)