(2S)-N-(5-methylhexan-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(5-methylhexan-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,4-dimethylpentyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(5-methylhexan-2-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(5-methylhexan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1,4-dimethylpentyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C19H30N2O3S MolecularWeight: 366.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(C)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC(C)CCC(C)C

InChI

InChI=1S/C19H30N2O3S/c1-14(2)7-10-16(4)20-19(22)18-6-5-13-21(18)25(23,24)17-11-8-15(3)9-12-17/h8-9,11-12,14,16,18H,5-7,10,13H2,1-4H3,(H,20,22)/t16?,18-/m0/s1