2-azanyl-5-(diethylaminomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-5-(diethylaminomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid Openeye Name: 2-amino-6-benzyl-5-(diethylaminomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid CAS Name: 2-amino-5-(diethylaminomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-6-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-6-benzyl-5-(diethylaminomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methylbenzoic acid Traditional Name: 2-amino-6-benzyl-5-(diethylaminomethyl)-4-(4-methoxyphenyl)sulfonyl-3-methyl-benzoic acid Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)CC1=C(C(=C(C(=C1CC2=CC=CC=C2)C(=O)O)N)C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H32N2O5S/c1-5-29(6-2)17-23-22(16-19-10-8-7-9-11-19)24(27(30)31)25(28)18(3)26(23)35(32,33)21-14-12-20(34-4)13-15-21/h7-15H,5-6,16-17,28H2,1-4H3,(H,30,31)