4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-isopropyl-3-nitro-benzenesulfonamide Formula: C16H15N3O4S3 MolecularWeight: 409.503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S3/c1-10(2)18-26(22,23)11-7-8-15(13(9-11)19(20)21)25-16-17-12-5-3-4-6-14(12)24-16/h3-10,18H,1-2H3