[4-[3-(2-azanylethylamino)-2-(phenylmethoxycarbonylamino)propyl]phenyl] methanesulfonate

Systemtic Name: [4-[3-(2-azanylethylamino)-2-(phenylmethoxycarbonylamino)propyl]phenyl] methanesulfonate Openeye Name: [4-[3-(2-aminoethylamino)-2-(benzyloxycarbonylamino)propyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-(2-aminoethylamino)-2-(phenylmethoxycarbonylamino)propyl]phenyl] ester IUPAC Name: [4-[3-(2-aminoethylamino)-2-(phenylmethoxycarbonylamino)propyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-(2-aminoethylamino)-2-(benzyloxycarbonylamino)propyl]phenyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CC(CNCCN)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC(CNCCN)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O5S/c1-29(25,26)28-19-9-7-16(8-10-19)13-18(14-22-12-11-21)23-20(24)27-15-17-5-3-2-4-6-17/h2-10,18,22H,11-15,21H2,1H3,(H,23,24)