1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]-3-propan-2-ylsulfonyl-piperazine

Systemtic Name: 1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 3-isopropylsulfonyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 1-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 3-isopropylsulfonyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine Formula: C22H31N3O7S3 MolecularWeight: 545.69244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H31N3O7S3/c1-4-8-18-11-12-20(24-34(28,29)35(30,31)32-19-9-6-5-7-10-19)21(15-18)25-14-13-23-22(16-25)33(26,27)17(2)3/h5-7,9-12,15,17,22-24H,4,8,13-14,16H2,1-3H3