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

Systemtic Name: N-[(1S)-1-(furan-2-yl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(1S)-1-(2-furyl)ethyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[(1S)-1-(2-furanyl)ethyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(1S)-1-(furan-2-yl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: [(1S)-1-(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)NC(C)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N[C@@H](C)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-13-5-3-9-20(12-13)27(24,25)15-7-8-16(17(11-15)21(22)23)19-14(2)18-6-4-10-26-18/h4,6-8,10-11,13-14,19H,3,5,9,12H2,1-2H3/t13-,14-/m0/s1