1-[3-[4-(hydroxymethyl)-2-phenyl-piperidin-1-yl]propyl]-10H-phenothiazine-2-sulfonamide

Systemtic Name: 1-[3-[4-(hydroxymethyl)-2-phenyl-piperidin-1-yl]propyl]-10H-phenothiazine-2-sulfonamide Openeye Name: 1-[3-[4-(hydroxymethyl)-2-phenyl-1-piperidyl]propyl]-10H-phenothiazine-2-sulfonamide CAS Name: 1-[3-[4-(hydroxymethyl)-2-phenyl-1-piperidinyl]propyl]-10H-phenothiazine-2-sulfonamide IUPAC Name: 1-[3-[4-(hydroxymethyl)-2-phenylpiperidin-1-yl]propyl]-10H-phenothiazine-2-sulfonamide Traditional Name: 1-[3-(4-methylol-2-phenyl-piperidino)propyl]-10H-phenothiazine-2-sulfonamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1CO)C2=CC=CC=C2)CCCC3=C(C=CC4=C3NC5=CC=CC=C5S4)S(=O)(=O)N

Isomeric SMILES

C1CN(C(CC1CO)C2=CC=CC=C2)CCCC3=C(C=CC4=C3NC5=CC=CC=C5S4)S(=O)(=O)N

InChI

InChI=1S/C27H31N3O3S2/c28-35(32,33)26-13-12-25-27(29-22-10-4-5-11-24(22)34-25)21(26)9-6-15-30-16-14-19(18-31)17-23(30)20-7-2-1-3-8-20/h1-5,7-8,10-13,19,23,29,31H,6,9,14-18H2,(H2,28,32,33)