2-oxidanyl-N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]benzenesulfonamide

Systemtic Name: 2-oxidanyl-N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]benzenesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-isopropylsulfonyl-phenyl]-2-hydroxy-benzenesulfonamide CAS Name: 2-hydroxy-N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]benzenesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]-2-hydroxybenzenesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-isopropylsulfonyl-phenyl]-2-hydroxy-benzenesulfonamide Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S2/c1-19(2)35(31,32)22-12-13-23(28-36(33,34)26-11-7-6-10-25(26)30)24(17-22)29-15-14-27-21(18-29)16-20-8-4-3-5-9-20/h3-13,17,19,21,27-28,30H,14-16,18H2,1-2H3