(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-4-pyrrolidin-1-yl-phenyl)butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[2-methyl-4-(1-pyrrolidinyl)phenyl]butanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide Traditional Name: (2S)-2-(brosylamino)-3-methyl-N-(2-methyl-4-pyrrolidino-phenyl)butyramide Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C(C(C)C)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-15(2)21(25-30(28,29)19-9-6-17(23)7-10-19)22(27)24-20-11-8-18(14-16(20)3)26-12-4-5-13-26/h6-11,14-15,21,25H,4-5,12-13H2,1-3H3,(H,24,27)/t21-/m0/s1