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

Systemtic Name: 1-[5-methyl-2-(phenylsulfonylsulfonylamino)phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-methyl-phenyl]-3-isopropylsulfonyl-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-methylphenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-methylphenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-methyl-phenyl]-3-isopropylsulfonyl-piperazine Formula: C20H27N3O6S3 MolecularWeight: 501.63988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C20H27N3O6S3/c1-15(2)30(24,25)20-14-23(12-11-21-20)19-13-16(3)9-10-18(19)22-32(28,29)31(26,27)17-7-5-4-6-8-17/h4-10,13,15,20-22H,11-12,14H2,1-3H3