phenyl 3-azanyl-4-(1-methoxyethylcarbamoylamino)benzenesulfonate

Systemtic Name: phenyl 3-azanyl-4-(1-methoxyethylcarbamoylamino)benzenesulfonate Openeye Name: phenyl 3-amino-4-(1-methoxyethylcarbamoylamino)benzenesulfonate CAS Name: 3-amino-4-[[(1-methoxyethylamino)-oxomethyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-amino-4-(1-methoxyethylcarbamoylamino)benzenesulfonate Traditional Name: 3-amino-4-(1-methoxyethylcarbamoylamino)benzenesulfonic acid phenyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N)OC

Isomeric SMILES

CC(NC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N)OC

InChI

InChI=1S/C16H19N3O5S/c1-11(23-2)18-16(20)19-15-9-8-13(10-14(15)17)25(21,22)24-12-6-4-3-5-7-12/h3-11H,17H2,1-2H3,(H2,18,19,20)