3-pyridin-3-ylpropyl 4-methyl-2-[(phenylmethyl)sulfonylamino]benzenesulfonate

Systemtic Name: 3-pyridin-3-ylpropyl 4-methyl-2-[(phenylmethyl)sulfonylamino]benzenesulfonate Openeye Name: 3-(3-pyridyl)propyl 2-(benzylsulfonylamino)-4-methyl-benzenesulfonate CAS Name: 4-methyl-2-[(phenylmethyl)sulfonylamino]benzenesulfonic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-(benzylsulfonylamino)-4-methylbenzenesulfonate Traditional Name: 2-(benzylsulfonylamino)-4-methyl-benzenesulfonic acid 3-(3-pyridyl)propyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OCCCC2=CN=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OCCCC2=CN=CC=C2)NS(=O)(=O)CC3=CC=CC=C3

InChI

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