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

Systemtic Name: 10-[3-[4-[oxidanyl(phenyl)methyl]piperidin-1-yl]propyl]phenothiazine-2-sulfonamide Openeye Name: 10-[3-[4-[hydroxy(phenyl)methyl]-1-piperidyl]propyl]phenothiazine-2-sulfonamide CAS Name: 10-[3-[4-[hydroxy(phenyl)methyl]-1-piperidinyl]propyl]-2-phenothiazinesulfonamide IUPAC Name: 10-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propyl]phenothiazine-2-sulfonamide Traditional Name: 10-[3-[4-[hydroxy(phenyl)methyl]piperidino]propyl]phenothiazine-2-sulfonamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)O)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)O)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)S(=O)(=O)N

InChI

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