2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-15-7-8-17(13-16(15)2)21(25(3,23)24)14-18(22)19-9-6-12-20-10-4-5-11-20/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,19,22)