[4-[[5-azanylpentyl-[3-(phenylmethyl)sulfonylpropanoyl]amino]methylsulfonylamino]phenyl] carbamate

Systemtic Name: [4-[[5-azanylpentyl-[3-(phenylmethyl)sulfonylpropanoyl]amino]methylsulfonylamino]phenyl] carbamate Openeye Name: [4-[[5-aminopentyl(3-benzylsulfonylpropanoyl)amino]methylsulfonylamino]phenyl] carbamate CAS Name: carbamic acid [4-[[5-aminopentyl-[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]methylsulfonylamino]phenyl] ester IUPAC Name: [4-[[5-aminopentyl(3-benzylsulfonylpropanoyl)amino]methylsulfonylamino]phenyl] carbamate Traditional Name: carbamic acid [4-[[5-aminopentyl(3-benzylsulfonylpropanoyl)amino]methylsulfonylamino]phenyl] ester Formula: C23H32N4O7S2 MolecularWeight: 540.65278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CCCCCN)CS(=O)(=O)NC2=CC=C(C=C2)OC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)N(CCCCCN)CS(=O)(=O)NC2=CC=C(C=C2)OC(=O)N

InChI

InChI=1S/C23H32N4O7S2/c24-14-5-2-6-15-27(22(28)13-16-35(30,31)17-19-7-3-1-4-8-19)18-36(32,33)26-20-9-11-21(12-10-20)34-23(25)29/h1,3-4,7-12,26H,2,5-6,13-18,24H2,(H2,25,29)