N-[2-(furan-2-yl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(furan-2-yl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[2-(2-furyl)ethyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[2-(2-furanyl)ethyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(furan-2-yl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: 2-(2-furyl)ethyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-14-4-2-10-20(13-14)27(24,25)16-6-7-17(18(12-16)21(22)23)19-9-8-15-5-3-11-26-15/h3,5-7,11-12,14,19H,2,4,8-10,13H2,1H3/t14-/m0/s1