4-ethoxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-3-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-3-30-20-11-6-16(13-19(20)24(26)27)21(25)22-17-7-9-18(10-8-17)31(28,29)23-12-4-5-15(2)14-23/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,22,25)/t15-/m0/s1