benzenesulfonic acid; 10-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-2-methylsulfinyl-phenothiazine

Systemtic Name: benzenesulfonic acid; 10-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-2-methylsulfinyl-phenothiazine Openeye Name: benzenesulfonic acid; 10-[2-[(2R)-1-methyl-2-piperidyl]ethyl]-2-methylsulfinyl-phenothiazine CAS Name: benzenesulfonic acid; 10-[2-[(2R)-1-methyl-2-piperidinyl]ethyl]-2-methylsulfinylphenothiazine IUPAC Name: benzenesulfonic acid; 10-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-2-methylsulfinylphenothiazine Traditional Name: besylic acid; 10-[2-[(2R)-1-methyl-2-piperidyl]ethyl]-2-methylsulfinyl-phenothiazine Formula: C27H32N2O4S3 MolecularWeight: 544.74898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CN1CCCC[C@@H]1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H26N2OS2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9)/t16-,26?;/m1./s1