4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-(oxolan-2-ylmethyl)aniline

Systemtic Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-(oxolan-2-ylmethyl)aniline Openeye Name: 4-[(3,5-dimethyl-1-piperidyl)sulfonyl]-2-nitro-N-(tetrahydrofuran-2-ylmethyl)aniline CAS Name: 4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-2-nitro-N-(2-oxolanylmethyl)aniline IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-nitro-N-(oxolan-2-ylmethyl)aniline Traditional Name: [4-(3,5-dimethylpiperidino)sulfonyl-2-nitro-phenyl]-(tetrahydrofurfuryl)amine Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-])C

InChI

InChI=1S/C18H27N3O5S/c1-13-8-14(2)12-20(11-13)27(24,25)16-5-6-17(18(9-16)21(22)23)19-10-15-4-3-7-26-15/h5-6,9,13-15,19H,3-4,7-8,10-12H2,1-2H3