N-[2-nitro-5-(4-propan-2-yloxyphenyl)carbonyl-phenyl]piperidine-1-sulfonamide

Systemtic Name: N-[2-nitro-5-(4-propan-2-yloxyphenyl)carbonyl-phenyl]piperidine-1-sulfonamide Openeye Name: N-[5-(4-isopropoxybenzoyl)-2-nitro-phenyl]piperidine-1-sulfonamide CAS Name: N-[2-nitro-5-[oxo-(4-propan-2-yloxyphenyl)methyl]phenyl]-1-piperidinesulfonamide IUPAC Name: N-[2-nitro-5-(4-propan-2-yloxybenzoyl)phenyl]piperidine-1-sulfonamide Traditional Name: N-[5-(4-isopropoxybenzoyl)-2-nitro-phenyl]piperidine-1-sulfonamide Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])NS(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O6S/c1-15(2)30-18-9-6-16(7-10-18)21(25)17-8-11-20(24(26)27)19(14-17)22-31(28,29)23-12-4-3-5-13-23/h6-11,14-15,22H,3-5,12-13H2,1-2H3