benzenesulfonic acid; 3-methylsulfinyl-10-(2-piperidin-2-ylethyl)phenothiazine

Systemtic Name: benzenesulfonic acid; 3-methylsulfinyl-10-(2-piperidin-2-ylethyl)phenothiazine Openeye Name: benzenesulfonic acid; 3-methylsulfinyl-10-[2-(2-piperidyl)ethyl]phenothiazine CAS Name: benzenesulfonic acid; 3-methylsulfinyl-10-[2-(2-piperidinyl)ethyl]phenothiazine IUPAC Name: benzenesulfonic acid; 3-methylsulfinyl-10-(2-piperidin-2-ylethyl)phenothiazine Traditional Name: besylic acid; 3-methylsulfinyl-10-[2-(2-piperidyl)ethyl]phenothiazine Formula: C26H30N2O4S3 MolecularWeight: 530.7224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3S2)CCC4CCCCN4.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CS(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C3S2)CCC4CCCCN4.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C20H24N2OS2.C6H6O3S/c1-25(23)16-9-10-18-20(14-16)24-19-8-3-2-7-17(19)22(18)13-11-15-6-4-5-12-21-15;7-10(8,9)6-4-2-1-3-5-6/h2-3,7-10,14-15,21H,4-6,11-13H2,1H3;1-5H,(H,7,8,9)