methyl 2-methyl-5-methylsulfonyl-4-[(phenylmethyl)amino]benzoate

Systemtic Name: methyl 2-methyl-5-methylsulfonyl-4-[(phenylmethyl)amino]benzoate Openeye Name: methyl 4-(benzylamino)-2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonyl-4-[(phenylmethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-(benzylamino)-2-methyl-5-methylsulfonylbenzoate Traditional Name: 4-(benzylamino)-5-mesyl-2-methyl-benzoic acid methyl ester Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)NCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)NCC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4S/c1-12-9-15(18-11-13-7-5-4-6-8-13)16(23(3,20)21)10-14(12)17(19)22-2/h4-10,18H,11H2,1-3H3