3-methoxy-1-[2-(phenylsulfonylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine

Systemtic Name: 3-methoxy-1-[2-(phenylsulfonylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-isopropylsulfonyl-phenyl]-3-methoxy-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-propan-2-ylsulfonylphenyl]-3-methoxypiperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-propan-2-ylsulfonylphenyl]-3-methoxypiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-isopropylsulfonyl-phenyl]-3-methoxy-piperazine Formula: C20H27N3O7S3 MolecularWeight: 517.63928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O7S3/c1-15(2)31(24,25)17-9-10-18(19(13-17)23-12-11-21-20(14-23)30-3)22-33(28,29)32(26,27)16-7-5-4-6-8-16/h4-10,13,15,20-22H,11-12,14H2,1-3H3