4-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(4-anilino-3-nitro-benzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-anilino-3-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-anilino-3-nitrobenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(4-anilino-3-nitro-benzoyl)piperazino]sulfonylbenzonitrile Formula: C24H21N5O5S MolecularWeight: 491.51904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H21N5O5S/c25-17-18-6-9-21(10-7-18)35(33,34)28-14-12-27(13-15-28)24(30)19-8-11-22(23(16-19)29(31)32)26-20-4-2-1-3-5-20/h1-11,16,26H,12-15H2