2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-2-methyl-5-nitro-anilino)-N-(3-piperidinopropyl)acetamide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCN2CCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCN2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C18H28N4O5S/c1-15-7-8-16(22(24)25)13-17(15)21(28(2,26)27)14-18(23)19-9-6-12-20-10-4-3-5-11-20/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,19,23)