phenyl 3-azanyl-4-(butylcarbamoylamino)benzenesulfonate

Systemtic Name: phenyl 3-azanyl-4-(butylcarbamoylamino)benzenesulfonate Openeye Name: phenyl 3-amino-4-(butylcarbamoylamino)benzenesulfonate CAS Name: 3-amino-4-[[butylamino(oxo)methyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-amino-4-(butylcarbamoylamino)benzenesulfonate Traditional Name: 3-amino-4-(butylcarbamoylamino)benzenesulfonic acid phenyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-2-3-11-19-17(21)20-16-10-9-14(12-15(16)18)25(22,23)24-13-7-5-4-6-8-13/h4-10,12H,2-3,11,18H2,1H3,(H2,19,20,21)