1-(4-methoxy-2-nitro-phenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[[4-(1-piperidylsulfonyl)phenyl]methyl]urea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[[4-(1-piperidinylsulfonyl)phenyl]methyl]urea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-(4-piperidinosulfonylbenzyl)urea Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O6S/c1-30-16-7-10-18(19(13-16)24(26)27)22-20(25)21-14-15-5-8-17(9-6-15)31(28,29)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H2,21,22,25)