[3-[[4-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]phenyl]aluminum dihydrate

Systemtic Name: [3-[[4-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]phenyl]aluminum dihydrate Openeye Name: [3-[[4-(benzenesulfonyl)-2-thienyl]sulfonylamino]phenyl]aluminum dihydrate CAS Name: [3-[[4-(benzenesulfonyl)-2-thiophenyl]sulfonylamino]phenyl]aluminum dihydrate IUPAC Name: [3-[[4-(benzenesulfonyl)thiophen-2-yl]sulfonylamino]phenyl]aluminum dihydrate Traditional Name: [3-[(4-besyl-2-thienyl)sulfonylamino]phenyl]aluminum dihydrate Formula: C16H16AlNO6S3 MolecularWeight: 441.477878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)NC3=CC(=CC=C3)[Al].O.O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)NC3=CC(=CC=C3)[Al].O.O

InChI

InChI=1S/C16H12NO4S3.Al.2H2O/c18-23(19,14-9-5-2-6-10-14)15-11-16(22-12-15)24(20,21)17-13-7-3-1-4-8-13;;;/h1-3,5-12,17H;;2*1H2