4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-(3-pyrrolidinopropyl)butyramide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-17-9-10-19(16-18(17)2)23(27(3,25)26)15-6-8-20(24)21-11-7-14-22-12-4-5-13-22/h9-10,16H,4-8,11-15H2,1-3H3,(H,21,24)