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

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-4-nitro-benzamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-4-nitrobenzamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]-4-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-14-3-2-12-21(13-14)28(26,27)18-10-6-16(7-11-18)20-19(23)15-4-8-17(9-5-15)22(24)25/h4-11,14H,2-3,12-13H2,1H3,(H,20,23)