4-methoxy-N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[2-[(1-methylsulfonyl-4-piperidyl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[2-[(1-methylsulfonyl-4-piperidinyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[(1-mesyl-4-piperidyl)amino]ethyl]-4-methoxy-3-nitro-benzamide Formula: C16H22N4O7S MolecularWeight: 414.43348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2CCN(CC2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O7S/c1-27-14-4-3-11(9-13(14)20(23)24)16(22)17-10-15(21)18-12-5-7-19(8-6-12)28(2,25)26/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,22)(H,18,21)