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

Systemtic Name: 1-[3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-3-phenyl-urea Openeye Name: 1-[3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-3-phenyl-urea CAS Name: 1-[3-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-3-phenylurea IUPAC Name: 1-[3-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-3-phenylurea Traditional Name: 1-[3-keto-3-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]propyl]-3-phenyl-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)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)NC3=CC=CC=C3

InChI

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