N-(2-aminocarbonyl-1-benzofuran-3-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-aminocarbonyl-1-benzofuran-3-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-carbamoylbenzofuran-3-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-carbamoyl-3-benzofuranyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-carbamoyl-1-benzofuran-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-carbamoylbenzofuran-3-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C21H21N3O5S/c1-13-8-10-14(11-9-13)30(27,28)24-12-4-6-16(24)21(26)23-18-15-5-2-3-7-17(15)29-19(18)20(22)25/h2-3,5,7-11,16H,4,6,12H2,1H3,(H2,22,25)(H,23,26)