N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H26N4O3S3 MolecularWeight: 478.65114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O3S3/c1-23(2)12-7-13-24(21-22-16-8-3-4-10-18(16)30-21)20(26)17-9-5-14-25(17)31(27,28)19-11-6-15-29-19/h3-4,6,8,10-11,15,17H,5,7,9,12-14H2,1-2H3