1-[3-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-pentan-2-yl]urea

Systemtic Name: 1-[3-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-1-oxidanylidene-pentan-2-yl]urea Openeye Name: [2-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]butyl]urea CAS Name: [3-methyl-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-1-oxopentan-2-yl]urea IUPAC Name: [3-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-1-oxopentan-2-yl]urea Traditional Name: [2-methyl-1-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]butyl]urea Formula: C17H25N5O6S MolecularWeight: 427.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])NC(=O)N

InChI

InChI=1S/C17H25N5O6S/c1-3-12(2)15(19-17(18)24)16(23)20-7-9-21(10-8-20)29(27,28)14-6-4-5-13(11-14)22(25)26/h4-6,11-12,15H,3,7-10H2,1-2H3,(H3,18,19,24)