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

Systemtic Name: 4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[4-(3-methylpiperidino)sulfonylphenyl]-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-14-4-3-11-22(13-14)29(27,28)18-9-7-17(8-10-18)21-20(24)16-6-5-15(2)19(12-16)23(25)26/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,21,24)