phenyl 3-azanyl-4-(5-cyanopentylcarbamoylamino)benzenesulfonate

Systemtic Name: phenyl 3-azanyl-4-(5-cyanopentylcarbamoylamino)benzenesulfonate Openeye Name: phenyl 3-amino-4-(5-cyanopentylcarbamoylamino)benzenesulfonate CAS Name: 3-amino-4-[[(5-cyanopentylamino)-oxomethyl]amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-amino-4-(5-cyanopentylcarbamoylamino)benzenesulfonate Traditional Name: 3-amino-4-(5-cyanopentylcarbamoylamino)benzenesulfonic acid phenyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC(=O)NCCCCCC#N)N

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)NC(=O)NCCCCCC#N)N

InChI

InChI=1S/C19H22N4O4S/c20-12-6-1-2-7-13-22-19(24)23-18-11-10-16(14-17(18)21)28(25,26)27-15-8-4-3-5-9-15/h3-5,8-11,14H,1-2,6-7,13,21H2,(H2,22,23,24)