2-[4-(2-ethyl-4-propan-2-ylsulfonyl-phenyl)piperazin-2-yl]phenol

Systemtic Name: 2-[4-(2-ethyl-4-propan-2-ylsulfonyl-phenyl)piperazin-2-yl]phenol Openeye Name: 2-[4-(2-ethyl-4-isopropylsulfonyl-phenyl)piperazin-2-yl]phenol CAS Name: 2-[4-(2-ethyl-4-propan-2-ylsulfonylphenyl)-2-piperazinyl]phenol IUPAC Name: 2-[4-(2-ethyl-4-propan-2-ylsulfonylphenyl)piperazin-2-yl]phenol Traditional Name: 2-[4-(2-ethyl-4-isopropylsulfonyl-phenyl)piperazin-2-yl]phenol Formula: C21H28N2O3S MolecularWeight: 388.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)C(C)C)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H28N2O3S/c1-4-16-13-17(27(25,26)15(2)3)9-10-20(16)23-12-11-22-19(14-23)18-7-5-6-8-21(18)24/h5-10,13,15,19,22,24H,4,11-12,14H2,1-3H3