N-tert-butyl-4-(3-morpholin-4-ylcarbonylpiperidin-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(3-morpholin-4-ylcarbonylpiperidin-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[3-(morpholine-4-carbonyl)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[3-[4-morpholinyl(oxo)methyl]-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[3-(morpholine-4-carbonyl)piperidino]-3-nitro-benzenesulfonamide Formula: C20H30N4O6S MolecularWeight: 454.5404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O6S/c1-20(2,3)21-31(28,29)16-6-7-17(18(13-16)24(26)27)23-8-4-5-15(14-23)19(25)22-9-11-30-12-10-22/h6-7,13,15,21H,4-5,8-12,14H2,1-3H3