8-azanyl-N-[2-methyl-5-(phenylsulfonylamino)phenyl]-1,2-dithionane-4-carboxamide

Systemtic Name: 8-azanyl-N-[2-methyl-5-(phenylsulfonylamino)phenyl]-1,2-dithionane-4-carboxamide Openeye Name: 8-amino-N-[5-(benzenesulfonamido)-2-methyl-phenyl]dithionane-4-carboxamide CAS Name: 8-amino-N-[5-(benzenesulfonamido)-2-methylphenyl]-4-dithionanecarboxamide IUPAC Name: 8-amino-N-[5-(benzenesulfonamido)-2-methylphenyl]dithionane-4-carboxamide Traditional Name: 8-amino-N-[5-(benzenesulfonamido)-2-methyl-phenyl]dithionane-4-carboxamide Formula: C21H27N3O3S3 MolecularWeight: 465.65238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C3CCCC(CSSC3)N

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)NC(=O)C3CCCC(CSSC3)N

InChI

InChI=1S/C21H27N3O3S3/c1-15-10-11-18(24-30(26,27)19-8-3-2-4-9-19)12-20(15)23-21(25)16-6-5-7-17(22)14-29-28-13-16/h2-4,8-12,16-17,24H,5-7,13-14,22H2,1H3,(H,23,25)