2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)propanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)propanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)propanamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]propanamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)propanamide Traditional Name: 2-(N-mesyl-2,5-dimethyl-anilino)-N-(3-pyrrolidinopropyl)propionamide Formula: C19H31N3O3S MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NCCCN2CCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NCCCN2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C19H31N3O3S/c1-15-8-9-16(2)18(14-15)22(26(4,24)25)17(3)19(23)20-10-7-13-21-11-5-6-12-21/h8-9,14,17H,5-7,10-13H2,1-4H3,(H,20,23)