10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinyl-phenothiazine; naphthalene-1,5-disulfonic acid

Systemtic Name: 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinyl-phenothiazine; naphthalene-1,5-disulfonic acid Openeye Name: 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfinyl-phenothiazine; naphthalene-1,5-disulfonic acid CAS Name: 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-methylsulfinylphenothiazine; naphthalene-1,5-disulfonic acid IUPAC Name: 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine; naphthalene-1,5-disulfonic acid Traditional Name: 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfinyl-phenothiazine; naphthalene-1,5-disulfonic acid Formula: C31H34N2O7S4 MolecularWeight: 674.87086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C21H26N2OS2.C10H8O6S2/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;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)