N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[(2S)-2-ethylpiperidino]sulfonylphenyl]-4-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-17-5-3-4-14-22(17)29(27,28)19-12-8-16(9-13-19)21-20(24)15-6-10-18(11-7-15)23(25)26/h6-13,17H,2-5,14H2,1H3,(H,21,24)/t17-/m0/s1