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

Systemtic Name: 4-[2-[[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]amino]ethyl]phenol Openeye Name: 4-[2-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-anilino]ethyl]phenol CAS Name: 4-[2-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitroanilino]ethyl]phenol IUPAC Name: 4-[2-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]ethyl]phenol Traditional Name: 4-[2-[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)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15-3-2-12-22(14-15)29(27,28)18-8-9-19(20(13-18)23(25)26)21-11-10-16-4-6-17(24)7-5-16/h4-9,13,15,21,24H,2-3,10-12,14H2,1H3