3-[(4-azanyl-2-chloranyl-phenoxy)methyl]-N,N-dimethyl-benzamide; ethanesulfonic acid

Systemtic Name: 3-[(4-azanyl-2-chloranyl-phenoxy)methyl]-N,N-dimethyl-benzamide; ethanesulfonic acid Openeye Name: 3-[(4-amino-2-chloro-phenoxy)methyl]-N,N-dimethyl-benzamide; ethanesulfonic acid CAS Name: 3-[(4-amino-2-chlorophenoxy)methyl]-N,N-dimethylbenzamide; ethanesulfonic acid IUPAC Name: 3-[(4-amino-2-chlorophenoxy)methyl]-N,N-dimethylbenzamide; ethanesulfonic acid Traditional Name: 3-[(4-amino-2-chloro-phenoxy)methyl]-N,N-dimethyl-benzamide; esylic acid Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CN(C)C(=O)C1=CC(=CC=C1)COC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

CCS(=O)(=O)O.CN(C)C(=O)C1=CC(=CC=C1)COC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C16H17ClN2O2.C2H6O3S/c1-19(2)16(20)12-5-3-4-11(8-12)10-21-15-7-6-13(18)9-14(15)17;1-2-6(3,4)5/h3-9H,10,18H2,1-2H3;2H2,1H3,(H,3,4,5)