N-(2-diethylaminoethyl)-3-(phenylsulfonyl)pyrrolidine-1-carboxamide; ethanedioic acid

Systemtic Name: N-(2-diethylaminoethyl)-3-(phenylsulfonyl)pyrrolidine-1-carboxamide; ethanedioic acid Openeye Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide; oxalic acid CAS Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)-1-pyrrolidinecarboxamide; oxalic acid IUPAC Name: 3-(benzenesulfonyl)-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide; oxalic acid Traditional Name: 3-besyl-N-(2-diethylaminoethyl)pyrrolidine-1-carboxamide; oxalic acid Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCC(C1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCC(C1)S(=O)(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O3S.C2H2O4/c1-3-19(4-2)13-11-18-17(21)20-12-10-16(14-20)24(22,23)15-8-6-5-7-9-15;3-1(4)2(5)6/h5-9,16H,3-4,10-14H2,1-2H3,(H,18,21);(H,3,4)(H,5,6)