4-[2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]ethyl]phenol

Systemtic Name: 4-[2-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]ethyl]phenol Openeye Name: 4-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]ethyl]phenol CAS Name: 4-[2-[4-(1-azepanylsulfonyl)-2-nitroanilino]ethyl]phenol IUPAC Name: 4-[2-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]ethyl]phenol Traditional Name: 4-[2-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]ethyl]phenol Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c24-17-7-5-16(6-8-17)11-12-21-19-10-9-18(15-20(19)23(25)26)29(27,28)22-13-3-1-2-4-14-22/h5-10,15,21,24H,1-4,11-14H2