4-azanyl-5-chloranyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-1-benzofuran-7-carboxamide; 4-methylbenzenesulfonic acid; hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-1-benzofuran-7-carboxamide; 4-methylbenzenesulfonic acid; hydrate Openeye Name: 4-amino-5-chloro-N-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methyl]benzofuran-7-carboxamide; 4-methylbenzenesulfonic acid; hydrate CAS Name: 4-amino-5-chloro-N-[[1-(4-oxanylmethyl)-4-piperidinyl]methyl]-7-benzofurancarboxamide; 4-methylbenzenesulfonic acid; hydrate IUPAC Name: 4-amino-5-chloro-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-1-benzofuran-7-carboxamide; 4-methylbenzenesulfonic acid; hydrate Traditional Name: 4-amino-5-chloro-N-[[1-(tetrahydropyran-4-ylmethyl)-4-piperidyl]methyl]benzofuran-7-carboxamide; tosylic acid; hydrate Formula: C28H38ClN3O7S MolecularWeight: 596.13522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1CNC(=O)C2=CC(=C(C3=C2OC=C3)N)Cl)CC4CCOCC4.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCC1CNC(=O)C2=CC(=C(C3=C2OC=C3)N)Cl)CC4CCOCC4.O

InChI

InChI=1S/C21H28ClN3O3.C7H8O3S.H2O/c22-18-11-17(20-16(19(18)23)5-10-28-20)21(26)24-12-14-1-6-25(7-2-14)13-15-3-8-27-9-4-15;1-6-2-4-7(5-3-6)11(8,9)10;/h5,10-11,14-15H,1-4,6-9,12-13,23H2,(H,24,26);2-5H,1H3,(H,8,9,10);1H2