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

Systemtic Name: N-(cyclopropylmethyl)-4-(2-methylphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(cyclopropylmethyl)-4-(o-tolyl)pyrrolidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(cyclopropylmethyl)-4-(2-methylphenyl)pyrrolidine-3-carboxamide Traditional Name: 1-besyl-N-(cyclopropylmethyl)-4-(o-tolyl)pyrrolidine-3-carboxamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2CN(CC2C(=O)NCC3CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2CN(CC2C(=O)NCC3CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N2O3S/c1-16-7-5-6-10-19(16)20-14-24(28(26,27)18-8-3-2-4-9-18)15-21(20)22(25)23-13-17-11-12-17/h2-10,17,20-21H,11-15H2,1H3,(H,23,25)