N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H25ClN4O3S3 MolecularWeight: 513.0962

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25ClN4O3S3/c1-24(2)11-6-12-25(21-23-19-15(22)7-3-9-17(19)31-21)20(27)16-8-4-13-26(16)32(28,29)18-10-5-14-30-18/h3,5,7,9-10,14,16H,4,6,8,11-13H2,1-2H3