N-(4-methyl-2-pyrrolidin-1-yl-pentyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(4-methyl-2-pyrrolidin-1-yl-pentyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(4-methyl-2-pyrrolidin-1-yl-pentyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[4-methyl-2-(1-pyrrolidinyl)pentyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(4-methyl-2-pyrrolidin-1-ylpentyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(4-methyl-2-pyrrolidino-pentyl)amine Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CC(C)CC(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C17H27N3O4S/c1-13(2)10-14(19-8-4-5-9-19)12-18-16-7-6-15(25(3,23)24)11-17(16)20(21)22/h6-7,11,13-14,18H,4-5,8-10,12H2,1-3H3