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

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]phenol Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]phenol CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]phenol Traditional Name: 2-[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=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c27-22-8-4-3-7-20(22)24-15-13-23(14-16-24)19-10-9-18(17-21(19)26(28)29)32(30,31)25-11-5-1-2-6-12-25/h3-4,7-10,17,27H,1-2,5-6,11-16H2