N-(3-ethyl-2-pyrrolidin-1-yl-pentyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(3-ethyl-2-pyrrolidin-1-yl-pentyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(3-ethyl-2-pyrrolidin-1-yl-pentyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[3-ethyl-2-(1-pyrrolidinyl)pentyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (3-ethyl-2-pyrrolidino-pentyl)-(4-mesyl-2-nitro-phenyl)amine Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-4-14(5-2)18(20-10-6-7-11-20)13-19-16-9-8-15(26(3,24)25)12-17(16)21(22)23/h8-9,12,14,18-19H,4-7,10-11,13H2,1-3H3