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

Systemtic Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-furyl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [2-(2-furyl)-2-pyrrolidino-ethyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CO2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-26(23,24)13-6-7-14(15(11-13)20(21)22)18-12-16(17-5-4-10-25-17)19-8-2-3-9-19/h4-7,10-11,16,18H,2-3,8-9,12H2,1H3