6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-[(4-methyl-1-piperidyl)sulfonyl]-3-[2-(3-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-(3-nitrophenyl)ethyl]-6-(4-methylpiperidino)sulfonyl-1,3-benzoxazol-2-one Formula: C21H21N3O7S MolecularWeight: 459.47234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7S/c1-14-7-9-22(10-8-14)32(29,30)17-5-6-18-20(12-17)31-21(26)23(18)13-19(25)15-3-2-4-16(11-15)24(27)28/h2-6,11-12,14H,7-10,13H2,1H3