2-[4-[4-(azepan-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(azepan-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(azepan-1-yl)-3-nitro-benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(azepan-1-yl)-3-nitrobenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(azepan-1-yl)-3-nitro-benzoyl]piperazino]sulfonylbenzonitrile Formula: C24H27N5O5S MolecularWeight: 497.56668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O5S/c25-18-20-7-3-4-8-23(20)35(33,34)28-15-13-27(14-16-28)24(30)19-9-10-21(22(17-19)29(31)32)26-11-5-1-2-6-12-26/h3-4,7-10,17H,1-2,5-6,11-16H2