ethanedioic acid; 1-[1-[3-(2-methoxy-6-methylsulfonyl-phenothiazin-10-yl)propyl]piperidin-4-yl]ethyl heptanoate

Systemtic Name: ethanedioic acid; 1-[1-[3-(2-methoxy-6-methylsulfonyl-phenothiazin-10-yl)propyl]piperidin-4-yl]ethyl heptanoate Openeye Name: 1-[1-[3-(2-methoxy-6-methylsulfonyl-phenothiazin-10-yl)propyl]-4-piperidyl]ethyl heptanoate; oxalic acid CAS Name: heptanoic acid 1-[1-[3-(2-methoxy-6-methylsulfonyl-10-phenothiazinyl)propyl]-4-piperidinyl]ethyl ester; oxalic acid IUPAC Name: 1-[1-[3-(2-methoxy-6-methylsulfonylphenothiazin-10-yl)propyl]piperidin-4-yl]ethyl heptanoate; oxalic acid Traditional Name: enanthic acid 1-[1-[3-(6-mesyl-2-methoxy-phenothiazin-10-yl)propyl]-4-piperidyl]ethyl ester; oxalic acid Formula: C33H46N2O9S2 MolecularWeight: 678.85634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C)C1CCN(CC1)CCCN2C3=C(C(=CC=C3)S(=O)(=O)C)SC4=C2C=C(C=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCC(=O)OC(C)C1CCN(CC1)CCCN2C3=C(C(=CC=C3)S(=O)(=O)C)SC4=C2C=C(C=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H44N2O5S2.C2H2O4/c1-5-6-7-8-13-30(34)38-23(2)24-16-20-32(21-17-24)18-10-19-33-26-11-9-12-29(40(4,35)36)31(26)39-28-15-14-25(37-3)22-27(28)33;3-1(4)2(5)6/h9,11-12,14-15,22-24H,5-8,10,13,16-21H2,1-4H3;(H,3,4)(H,5,6)