4-[[(4-methylphenyl)sulfonylamino]-(phenylsulfonyl)amino]butane-1-sulfonamide

Systemtic Name: 4-[[(4-methylphenyl)sulfonylamino]-(phenylsulfonyl)amino]butane-1-sulfonamide Openeye Name: 4-[benzenesulfonyl-(p-tolylsulfonylamino)amino]butane-1-sulfonamide CAS Name: 4-[benzenesulfonyl-[(4-methylphenyl)sulfonylamino]amino]-1-butanesulfonamide IUPAC Name: 4-[benzenesulfonyl-[(4-methylphenyl)sulfonylamino]amino]butane-1-sulfonamide Traditional Name: 4-[besyl-(tosylamino)amino]butane-1-sulfonamide Formula: C17H23N3O6S3 MolecularWeight: 461.57602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN(CCCCS(=O)(=O)N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN(CCCCS(=O)(=O)N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3O6S3/c1-15-9-11-16(12-10-15)28(23,24)19-20(13-5-6-14-27(18,21)22)29(25,26)17-7-3-2-4-8-17/h2-4,7-12,19H,5-6,13-14H2,1H3,(H2,18,21,22)