N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-besyl-N-methyl-pyrrolidine-2-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-22(14-19-21-16-10-5-6-12-18(16)27-19)20(24)17-11-7-13-23(17)28(25,26)15-8-3-2-4-9-15/h2-6,8-10,12,17H,7,11,13-14H2,1H3