8-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 8-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 8-methyl-1-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 8-methyl-1-[1-(3-nitrophenyl)sulfonyl-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 8-methyl-1-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 8-methyl-1-[1-(3-nitrophenyl)sulfonyl-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-14-4-2-5-15-13-29-20(24)22(19(14)15)16-8-10-21(11-9-16)30(27,28)18-7-3-6-17(12-18)23(25)26/h2-7,12,16H,8-11,13H2,1H3