2-[1-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]ethyl]phenol

Systemtic Name: 2-[1-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]ethyl]phenol Openeye Name: 2-[1-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]ethyl]phenol CAS Name: 2-[1-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]ethyl]phenol IUPAC Name: 2-[1-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]ethyl]phenol Traditional Name: 2-[1-[4-(3-methylpiperidino)sulfonyl-2-nitro-anilino]ethyl]phenol Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC(C)C3=CC=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-14-6-5-11-22(13-14)29(27,28)16-9-10-18(19(12-16)23(25)26)21-15(2)17-7-3-4-8-20(17)24/h3-4,7-10,12,14-15,21,24H,5-6,11,13H2,1-2H3