2-[4-[2-(oxidanylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol

Systemtic Name: 2-[4-[2-(oxidanylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol Openeye Name: 2-[4-[2-(hydroxyamino)-1-(3-isopropylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol CAS Name: 2-[4-[2-(hydroxyamino)-1-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]phenyl]phenol IUPAC Name: 2-[4-[2-(hydroxyamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol Traditional Name: 2-[4-[2-(hydroxyamino)-1-(3-isopropylsulfonylpiperazino)ethyl]phenyl]phenol Formula: C21H29N3O4S MolecularWeight: 419.53766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNO)C2=CC=C(C=C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNO)C2=CC=C(C=C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3O4S/c1-15(2)29(27,28)21-14-24(12-11-22-21)19(13-23-26)17-9-7-16(8-10-17)18-5-3-4-6-20(18)25/h3-10,15,19,21-23,25-26H,11-14H2,1-2H3