N'-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)propyl]naphthalene-2-carboximidamide; 4-methylbenzenesulfonic acid

Systemtic Name: N'-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)propyl]naphthalene-2-carboximidamide; 4-methylbenzenesulfonic acid Openeye Name: N'-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)propyl]naphthalene-2-carboxamidine; 4-methylbenzenesulfonic acid CAS Name: N'-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-2-naphthalenecarboximidamide; 4-methylbenzenesulfonic acid IUPAC Name: N'-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]naphthalene-2-carboximidamide; 4-methylbenzenesulfonic acid Traditional Name: N'-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)propyl]-2-naphthamidine; tosylic acid Formula: C31H35ClN2O4S MolecularWeight: 567.1386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C=C1Cl)C(C)C)OCCCN=C(C2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=C(C=C1Cl)C(C)C)OCCCN=C(C2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C24H27ClN2O.C7H8O3S/c1-16(2)21-15-22(25)17(3)13-23(21)28-12-6-11-27-24(26)20-10-9-18-7-4-5-8-19(18)14-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-10,13-16H,6,11-12H2,1-3H3,(H2,26,27);2-5H,1H3,(H,8,9,10)