[3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino] ethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: [3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino] ethanoate; 4-methylbenzenesulfonic acid Openeye Name: [3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino] acetate; 4-methylbenzenesulfonic acid CAS Name: acetic acid [3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino] ester; 4-methylbenzenesulfonic acid IUPAC Name: [3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino] acetate; 4-methylbenzenesulfonic acid Traditional Name: acetic acid [3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino] ester; tosylic acid Formula: C31H37ClN2O8S2 MolecularWeight: 665.21708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)OC(=O)C

InChI

InChI=1S/C24H29ClN2O5S.C7H8O3S/c1-15(2)26(32-17(4)29)11-6-12-31-22-10-8-19(30-5)14-20(22)24-27(16(3)28)21-9-7-18(25)13-23(21)33-24;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,13-15,24H,6,11-12H2,1-5H3;2-5H,1H3,(H,8,9,10)