4-methylsulfonyl-2-nitro-N-[2-(oxolan-3-yl)-2-pyrrolidin-1-yl-ethyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[2-(oxolan-3-yl)-2-pyrrolidin-1-yl-ethyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-(2-pyrrolidin-1-yl-2-tetrahydrofuran-3-yl-ethyl)aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[2-(3-oxolanyl)-2-(1-pyrrolidinyl)ethyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[2-(oxolan-3-yl)-2-pyrrolidin-1-ylethyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(2-pyrrolidino-2-tetrahydrofuran-3-yl-ethyl)amine Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2CCOC2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2CCOC2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S/c1-26(23,24)14-4-5-15(16(10-14)20(21)22)18-11-17(13-6-9-25-12-13)19-7-2-3-8-19/h4-5,10,13,17-18H,2-3,6-9,11-12H2,1H3