2-[4-[2-[(phenylmethyl)amino]-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-yl]phenol

Systemtic Name: 2-[4-[2-[(phenylmethyl)amino]-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-yl]phenol Openeye Name: 2-[4-[2-(benzylamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazin-2-yl]phenol CAS Name: 2-[4-[2-[(phenylmethyl)amino]-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinyl]phenol IUPAC Name: 2-[4-[2-(benzylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-yl]phenol Traditional Name: 2-[4-[2-(benzylamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazin-2-yl]phenol Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNCC2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

InChI=1S/C28H35N3O3S/c1-21(2)35(33,34)24-14-12-23(13-15-24)27(19-29-18-22-8-4-3-5-9-22)31-17-16-30-26(20-31)25-10-6-7-11-28(25)32/h3-15,21,26-27,29-30,32H,16-20H2,1-2H3