N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-methyl-N-[(5-methyl-2-furyl)methyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-methyl-N-[(5-methyl-2-furanyl)methyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: methyl-[(5-methyl-2-furyl)methyl]-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(O3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=CC=C(O3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-14-5-4-10-21(12-14)28(25,26)17-8-9-18(19(11-17)22(23)24)20(3)13-16-7-6-15(2)27-16/h6-9,11,14H,4-5,10,12-13H2,1-3H3/t14-/m0/s1