4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]cyclohexan-1-ol

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]cyclohexan-1-ol Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]cyclohexanol CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitroanilino]-1-cyclohexanol IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]cyclohexan-1-ol Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]cyclohexanol Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCC(CC3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c22-15-7-5-14(6-8-15)19-17-10-9-16(13-18(17)21(23)24)27(25,26)20-11-3-1-2-4-12-20/h9-10,13-15,19,22H,1-8,11-12H2