N-(2-methyl-3-nitro-phenyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-2-(1-piperidyl)-5-(1-piperidylsulfonyl)benzamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-2-piperidino-5-piperidinosulfonyl-benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCCC4

InChI

InChI=1S/C24H30N4O5S/c1-18-21(9-8-10-22(18)28(30)31)25-24(29)20-17-19(34(32,33)27-15-6-3-7-16-27)11-12-23(20)26-13-4-2-5-14-26/h8-12,17H,2-7,13-16H2,1H3,(H,25,29)