N-(3-methylbutyl)-4-(2-methylphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(3-methylbutyl)-4-(2-methylphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-isopentyl-4-(o-tolyl)pyrrolidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(3-methylbutyl)-4-(2-methylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3-methylbutyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide Traditional Name: 1-besyl-N-isoamyl-4-(o-tolyl)pyrrolidine-3-carboxamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CN(CC2C(=O)NCCC(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2CN(CC2C(=O)NCCC(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S/c1-17(2)13-14-24-23(26)22-16-25(29(27,28)19-10-5-4-6-11-19)15-21(22)20-12-8-7-9-18(20)3/h4-12,17,21-22H,13-16H2,1-3H3,(H,24,26)