[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-chloranyl-2-nitro-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-chloro-2-nitro-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(4-chloro-2-nitrophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4-chloro-2-nitro-phenyl)methanone Formula: C17H23ClN4O5S MolecularWeight: 430.90632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O5S/c18-14-5-6-15(16(13-14)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,1-4,7-12H2