[4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H21N5O7S MolecularWeight: 475.47504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O7S/c26-20(14-5-8-16(21-15-6-7-15)18(13-14)25(29)30)22-9-11-23(12-10-22)33(31,32)19-4-2-1-3-17(19)24(27)28/h1-5,8,13,15,21H,6-7,9-12H2