1-cyclohexyl-3-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]urea Openeye Name: 1-cyclohexyl-3-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]urea CAS Name: 1-cyclohexyl-3-[4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]urea IUPAC Name: 1-cyclohexyl-3-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]urea Traditional Name: 1-cyclohexyl-3-[4-keto-4-[4-(3-nitrophenyl)sulfonylpiperazino]butyl]urea Formula: C21H31N5O6S MolecularWeight: 481.56574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O6S/c27-20(10-5-11-22-21(28)23-17-6-2-1-3-7-17)24-12-14-25(15-13-24)33(31,32)19-9-4-8-18(16-19)26(29)30/h4,8-9,16-17H,1-3,5-7,10-15H2,(H2,22,23,28)