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

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-[4-(3-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(14-4-7-18(21-15-5-6-15)19(12-14)25(29)30)22-8-10-23(11-9-22)33(31,32)17-3-1-2-16(13-17)24(27)28/h1-4,7,12-13,15,21H,5-6,8-11H2