N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(6-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=C(C=C2)Cl)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25ClN4O3S3/c1-24(2)10-5-11-25(21-23-16-9-8-15(22)14-18(16)31-21)20(27)17-6-3-12-26(17)32(28,29)19-7-4-13-30-19/h4,7-9,13-14,17H,3,5-6,10-12H2,1-2H3