4-[[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]methyl]phenol

Systemtic Name: 4-[[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)amino]methyl]phenol Openeye Name: 4-[[2-nitro-4-(1-piperidylsulfonyl)anilino]methyl]phenol CAS Name: 4-[[2-nitro-4-(1-piperidinylsulfonyl)anilino]methyl]phenol IUPAC Name: 4-[(2-nitro-4-piperidin-1-ylsulfonylanilino)methyl]phenol Traditional Name: 4-[(2-nitro-4-piperidinosulfonyl-anilino)methyl]phenol Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c22-15-6-4-14(5-7-15)13-19-17-9-8-16(12-18(17)21(23)24)27(25,26)20-10-2-1-3-11-20/h4-9,12,19,22H,1-3,10-11,13H2