1-cyclohexyl-3-[3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea

Systemtic Name: 1-cyclohexyl-3-[3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]urea Openeye Name: 1-cyclohexyl-3-[3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]urea CAS Name: 1-cyclohexyl-3-[3-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]urea IUPAC Name: 1-cyclohexyl-3-[3-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]urea Traditional Name: 1-cyclohexyl-3-[3-keto-3-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]propyl]urea Formula: C21H31N5O7S MolecularWeight: 497.56514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)NC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)NC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O7S/c1-33-19-8-7-17(15-18(19)26(29)30)34(31,32)25-13-11-24(12-14-25)20(27)9-10-22-21(28)23-16-5-3-2-4-6-16/h7-8,15-16H,2-6,9-14H2,1H3,(H2,22,23,28)