N-(2-methyl-3-piperidin-1-yl-propyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(2-methyl-3-piperidin-1-yl-propyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-methyl-3-(1-piperidyl)propyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-methyl-3-(1-piperidinyl)propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(2-methyl-3-piperidino-propyl)amine Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])CN2CCCCC2

Isomeric SMILES

CC(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])CN2CCCCC2

InChI

InChI=1S/C16H25N3O4S/c1-13(12-18-8-4-3-5-9-18)11-17-15-7-6-14(24(2,22)23)10-16(15)19(20)21/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3