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

Systemtic Name: 1-[5-ethyl-2-(phenylsulfonylsulfonylamino)phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethyl-phenyl]-3-isopropylsulfonyl-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethylphenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-ethylphenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-ethyl-phenyl]-3-isopropylsulfonyl-piperazine Formula: C21H29N3O6S3 MolecularWeight: 515.66646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=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/C21H29N3O6S3/c1-4-17-10-11-19(23-33(29,30)32(27,28)18-8-6-5-7-9-18)20(14-17)24-13-12-22-21(15-24)31(25,26)16(2)3/h5-11,14,16,21-23H,4,12-13,15H2,1-3H3