methyl 4-[3-(2-azanylbutanoylamino)phenyl]sulfinylbenzoate

Systemtic Name: methyl 4-[3-(2-azanylbutanoylamino)phenyl]sulfinylbenzoate Openeye Name: methyl 4-[3-(2-aminobutanoylamino)phenyl]sulfinylbenzoate CAS Name: 4-[3-[(2-amino-1-oxobutyl)amino]phenyl]sulfinylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-aminobutanoylamino)phenyl]sulfinylbenzoate Traditional Name: 4-[3-(2-aminobutanoylamino)phenyl]sulfinylbenzoic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)S(=O)C2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)S(=O)C2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C18H20N2O4S/c1-3-16(19)17(21)20-13-5-4-6-15(11-13)25(23)14-9-7-12(8-10-14)18(22)24-2/h4-11,16H,3,19H2,1-2H3,(H,20,21)