2-[4-[3-(phenylmethyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-phenyl]phenol

Systemtic Name: 2-[4-[3-(phenylmethyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-phenyl]phenol Openeye Name: 2-[4-(3-benzylpiperazin-1-yl)-3-isopropylsulfonyl-phenyl]phenol CAS Name: 2-[4-[3-(phenylmethyl)-1-piperazinyl]-3-propan-2-ylsulfonylphenyl]phenol IUPAC Name: 2-[4-(3-benzylpiperazin-1-yl)-3-propan-2-ylsulfonylphenyl]phenol Traditional Name: 2-[4-(3-benzylpiperazino)-3-isopropylsulfonyl-phenyl]phenol Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

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