2-[4-[2-[(phenylmethyl)amino]-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol

Systemtic Name: 2-[4-[2-[(phenylmethyl)amino]-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol Openeye Name: 2-[4-[2-(benzylamino)-1-(3-isopropylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol CAS Name: 2-[4-[2-[(phenylmethyl)amino]-1-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]phenyl]phenol IUPAC Name: 2-[4-[2-(benzylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol Traditional Name: 2-[4-[2-(benzylamino)-1-(3-isopropylsulfonylpiperazino)ethyl]phenyl]phenol Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNCC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4O

InChI

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