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

Systemtic Name: 2-[4-(4-ethoxy-2-propan-2-ylsulfonyl-phenyl)piperazin-2-yl]phenol Openeye Name: 2-[4-(4-ethoxy-2-isopropylsulfonyl-phenyl)piperazin-2-yl]phenol CAS Name: 2-[4-(4-ethoxy-2-propan-2-ylsulfonylphenyl)-2-piperazinyl]phenol IUPAC Name: 2-[4-(4-ethoxy-2-propan-2-ylsulfonylphenyl)piperazin-2-yl]phenol Traditional Name: 2-[4-(4-ethoxy-2-isopropylsulfonyl-phenyl)piperazin-2-yl]phenol Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)C3=CC=CC=C3O)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)C3=CC=CC=C3O)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H28N2O4S/c1-4-27-16-9-10-19(21(13-16)28(25,26)15(2)3)23-12-11-22-18(14-23)17-7-5-6-8-20(17)24/h5-10,13,15,18,22,24H,4,11-12,14H2,1-3H3