N-ethyl-3-methyl-N-propan-2-yl-5-[1-(pyridin-4-ylamino)propoxy]benzamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-ethyl-3-methyl-N-propan-2-yl-5-[1-(pyridin-4-ylamino)propoxy]benzamide; 4-methylbenzenesulfonic acid Openeye Name: N-ethyl-N-isopropyl-3-methyl-5-[1-(4-pyridylamino)propoxy]benzamide; 4-methylbenzenesulfonic acid CAS Name: N-ethyl-3-methyl-N-propan-2-yl-5-[1-(pyridin-4-ylamino)propoxy]benzamide; 4-methylbenzenesulfonic acid IUPAC Name: N-ethyl-3-methyl-N-propan-2-yl-5-[1-(pyridin-4-ylamino)propoxy]benzamide; 4-methylbenzenesulfonic acid Traditional Name: N-ethyl-N-isopropyl-3-methyl-5-[1-(4-pyridylamino)propoxy]benzamide; tosylic acid Formula: C28H37N3O5S MolecularWeight: 527.67548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=CC=NC=C1)OC2=CC(=CC(=C2)C)C(=O)N(CC)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=CC=NC=C1)OC2=CC(=CC(=C2)C)C(=O)N(CC)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H29N3O2.C7H8O3S/c1-6-20(23-18-8-10-22-11-9-18)26-19-13-16(5)12-17(14-19)21(25)24(7-2)15(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h8-15,20H,6-7H2,1-5H3,(H,22,23);2-5H,1H3,(H,8,9,10)