1-[3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]urea

Systemtic Name: 1-[3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-1-phenyl-propyl]urea Openeye Name: [3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxo-1-phenyl-propyl]urea CAS Name: [3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxo-1-phenylpropyl]urea IUPAC Name: [3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxo-1-phenylpropyl]urea Traditional Name: [3-keto-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-1-phenyl-propyl]urea Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C21H25N5O6S/c1-15-7-8-17(26(29)30)13-19(15)33(31,32)25-11-9-24(10-12-25)20(27)14-18(23-21(22)28)16-5-3-2-4-6-16/h2-8,13,18H,9-12,14H2,1H3,(H3,22,23,28)