1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(1-methylsulfonyl-4-piperidyl)urea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(1-methylsulfonyl-4-piperidinyl)urea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(1-mesyl-4-piperidyl)urea Formula: C17H26N4O7S MolecularWeight: 430.47594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O7S/c1-27-15-10-12(14(21(23)24)11-16(15)28-2)4-7-18-17(22)19-13-5-8-20(9-6-13)29(3,25)26/h10-11,13H,4-9H2,1-3H3,(H2,18,19,22)