(4-azanyl-3-nitro-phenyl)-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-(1-azepanylsulfonyl)-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-(azepan-1-ylsulfonyl)piperazino]methanone Formula: C17H25N5O5S MolecularWeight: 411.4759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5O5S/c18-15-6-5-14(13-16(15)22(24)25)17(23)19-9-11-21(12-10-19)28(26,27)20-7-3-1-2-4-8-20/h5-6,13H,1-4,7-12,18H2