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

Systemtic Name: 4-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]phenol CAS Name: 4-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]phenol Traditional Name: 4-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]phenol Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5S/c27-19-7-5-18(6-8-19)23-13-15-24(16-14-23)21-10-9-20(17-22(21)26(28)29)32(30,31)25-11-3-1-2-4-12-25/h5-10,17,27H,1-4,11-16H2