3-[(phenylmethyl)sulfonylamino]propyl 4-methyl-3-pyridin-3-yl-benzenesulfonate

Systemtic Name: 3-[(phenylmethyl)sulfonylamino]propyl 4-methyl-3-pyridin-3-yl-benzenesulfonate Openeye Name: 3-(benzylsulfonylamino)propyl 4-methyl-3-(3-pyridyl)benzenesulfonate CAS Name: 4-methyl-3-(3-pyridinyl)benzenesulfonic acid 3-[(phenylmethyl)sulfonylamino]propyl ester IUPAC Name: 3-(benzylsulfonylamino)propyl 4-methyl-3-pyridin-3-ylbenzenesulfonate Traditional Name: 4-methyl-3-(3-pyridyl)benzenesulfonic acid 3-(benzylsulfonylamino)propyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OCCCNS(=O)(=O)CC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OCCCNS(=O)(=O)CC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C22H24N2O5S2/c1-18-10-11-21(15-22(18)20-9-5-12-23-16-20)31(27,28)29-14-6-13-24-30(25,26)17-19-7-3-2-4-8-19/h2-5,7-12,15-16,24H,6,13-14,17H2,1H3