2-[2-[3-(phenylmethyl)piperazin-1-yl]-5-propan-2-ylsulfonyl-phenyl]phenol

Systemtic Name: 2-[2-[3-(phenylmethyl)piperazin-1-yl]-5-propan-2-ylsulfonyl-phenyl]phenol Openeye Name: 2-[2-(3-benzylpiperazin-1-yl)-5-isopropylsulfonyl-phenyl]phenol CAS Name: 2-[2-[3-(phenylmethyl)-1-piperazinyl]-5-propan-2-ylsulfonylphenyl]phenol IUPAC Name: 2-[2-(3-benzylpiperazin-1-yl)-5-propan-2-ylsulfonylphenyl]phenol Traditional Name: 2-[2-(3-benzylpiperazino)-5-isopropylsulfonyl-phenyl]phenol Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)CC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)CC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C26H30N2O3S/c1-19(2)32(30,31)22-12-13-25(24(17-22)23-10-6-7-11-26(23)29)28-15-14-27-21(18-28)16-20-8-4-3-5-9-20/h3-13,17,19,21,27,29H,14-16,18H2,1-2H3