2-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: 2-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: 2-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzenesulfonamide CAS Name: 2-methyl-5-[[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: 2-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: 2-methyl-5-[(4-pyrrolidinosulfonylphenyl)sulfonylamino]benzenesulfonamide Formula: C17H21N3O6S3 MolecularWeight: 459.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)S(=O)(=O)N

InChI

InChI=1S/C17H21N3O6S3/c1-13-4-5-14(12-17(13)27(18,21)22)19-28(23,24)15-6-8-16(9-7-15)29(25,26)20-10-2-3-11-20/h4-9,12,19H,2-3,10-11H2,1H3,(H2,18,21,22)