4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-(azepan-1-ylsulfonyl)piperazino]-3-nitro-benzonitrile Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S/c18-14-15-5-6-16(17(13-15)22(23)24)19-9-11-21(12-10-19)27(25,26)20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12H2