2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperidin-1-yl)propyl]ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperidin-1-yl)propyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[3-(4-methyl-1-piperidyl)propyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(4-methyl-1-piperidinyl)propyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-[3-(4-methylpiperidino)propyl]acetamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-15-7-11-21(12-8-15)10-4-9-20-19(24)14-22(29(3,27)28)18-13-17(23(25)26)6-5-16(18)2/h5-6,13,15H,4,7-12,14H2,1-3H3,(H,20,24)