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

Systemtic Name: benzenesulfonic acid; 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfonyl-phenothiazine Openeye Name: benzenesulfonic acid; 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfonyl-phenothiazine CAS Name: benzenesulfonic acid; 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-methylsulfonylphenothiazine IUPAC Name: benzenesulfonic acid; 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfonylphenothiazine Traditional Name: besylic acid; 2-mesyl-10-[2-(1-methyl-2-piperidyl)ethyl]phenothiazine Formula: C27H32N2O5S3 MolecularWeight: 560.74838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25;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)