N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-(2-ethylpiperidino)sulfonylphenyl]-4-methyl-3-nitro-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-3-18-6-4-5-13-23(18)30(28,29)19-11-9-17(10-12-19)22-21(25)16-8-7-15(2)20(14-16)24(26)27/h7-12,14,18H,3-6,13H2,1-2H3,(H,22,25)