[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-nitro-2-phenoxy-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(5-nitro-2-phenoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-nitro-2-phenoxyphenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(5-nitro-2-phenoxy-phenyl)methanone Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O6S/c28-23(21-18-19(27(29)30)10-11-22(21)33-20-8-4-3-5-9-20)24-14-16-26(17-15-24)34(31,32)25-12-6-1-2-7-13-25/h3-5,8-11,18H,1-2,6-7,12-17H2