methyl N-[4-[4-(2-azanylpropanoylamino)phenyl]sulfinylphenyl]carbamate

Systemtic Name: methyl N-[4-[4-(2-azanylpropanoylamino)phenyl]sulfinylphenyl]carbamate Openeye Name: methyl N-[4-[4-(2-aminopropanoylamino)phenyl]sulfinylphenyl]carbamate CAS Name: N-[4-[4-[(2-amino-1-oxopropyl)amino]phenyl]sulfinylphenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[4-(2-aminopropanoylamino)phenyl]sulfinylphenyl]carbamate Traditional Name: N-[4-[4-(alanylamino)phenyl]sulfinylphenyl]carbamic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-11(18)16(21)19-12-3-7-14(8-4-12)25(23)15-9-5-13(6-10-15)20-17(22)24-2/h3-11H,18H2,1-2H3,(H,19,21)(H,20,22)