4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide Openeye Name: 4-[(p-tolylsulfonylamino)methyl]-N-(3-pyrrolidin-1-ylpropyl)cyclohexanecarboxamide CAS Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(1-pyrrolidinyl)propyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide Traditional Name: N-(3-pyrrolidinopropyl)-4-[(tosylamino)methyl]cyclohexanecarboxamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCCN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCC(CC2)C(=O)NCCCN3CCCC3

InChI

InChI=1S/C22H35N3O3S/c1-18-5-11-21(12-6-18)29(27,28)24-17-19-7-9-20(10-8-19)22(26)23-13-4-16-25-14-2-3-15-25/h5-6,11-12,19-20,24H,2-4,7-10,13-17H2,1H3,(H,23,26)