3-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(p-tolylsulfonylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[4-(pyrrolidinomethyl)benzyl]-3-(tosylamino)propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C22H29N3O3S/c1-18-4-10-21(11-5-18)29(27,28)24-13-12-22(26)23-16-19-6-8-20(9-7-19)17-25-14-2-3-15-25/h4-11,24H,2-3,12-17H2,1H3,(H,23,26)