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

Systemtic Name: 4-[2-[(phenylmethyl)amino]-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-ol Openeye Name: 4-[2-(benzylamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazin-2-ol CAS Name: 4-[2-[(phenylmethyl)amino]-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinol IUPAC Name: 4-[2-(benzylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-ol Traditional Name: 4-[2-(benzylamino)-1-(4-isopropylsulfonylphenyl)ethyl]piperazin-2-ol Formula: C22H31N3O3S MolecularWeight: 417.56484

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-17(2)29(27,28)20-10-8-19(9-11-20)21(25-13-12-24-22(26)16-25)15-23-14-18-6-4-3-5-7-18/h3-11,17,21-24,26H,12-16H2,1-2H3