2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-(3-pyrrolidinopropyl)acetamide Formula: C17H26BrN3O3S MolecularWeight: 432.37564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrN3O3S/c1-14-12-15(6-7-16(14)18)21(25(2,23)24)13-17(22)19-8-5-11-20-9-3-4-10-20/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,19,22)