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

Systemtic Name: 4-azanylbenzenesulfonic acid; N-ethyl-3-methyl-N-propan-2-yl-5-[1-(pyridin-4-ylamino)propoxy]benzamide Openeye Name: 4-aminobenzenesulfonic acid; N-ethyl-N-isopropyl-3-methyl-5-[1-(4-pyridylamino)propoxy]benzamide CAS Name: 4-aminobenzenesulfonic acid; N-ethyl-3-methyl-N-propan-2-yl-5-[1-(pyridin-4-ylamino)propoxy]benzamide IUPAC Name: 4-aminobenzenesulfonic acid; N-ethyl-3-methyl-N-propan-2-yl-5-[1-(pyridin-4-ylamino)propoxy]benzamide Traditional Name: 4-aminobesylic acid; N-ethyl-N-isopropyl-3-methyl-5-[1-(4-pyridylamino)propoxy]benzamide Formula: C27H36N4O5S MolecularWeight: 528.66354

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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.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=CC=NC=C1)OC2=CC(=CC(=C2)C)C(=O)N(CC)C(C)C.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

InChI=1S/C21H29N3O2.C6H7NO3S/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;7-5-1-3-6(4-2-5)11(8,9)10/h8-15,20H,6-7H2,1-5H3,(H,22,23);1-4H,7H2,(H,8,9,10)