N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]propane-2-sulfonamide Formula: C25H37N3O4S2 MolecularWeight: 507.70898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O4S2/c1-19(2)33(29,30)24-12-10-22(11-13-24)25(17-27-34(31,32)20(3)4)28-15-14-26-23(18-28)16-21-8-6-5-7-9-21/h5-13,19-20,23,25-27H,14-18H2,1-4H3