N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H27ClN4O3S3 MolecularWeight: 527.12278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C22H27ClN4O3S3/c1-15-16(23)9-10-18-20(15)24-22(32-18)26(12-6-11-25(2)3)21(28)17-7-4-13-27(17)33(29,30)19-8-5-14-31-19/h5,8-10,14,17H,4,6-7,11-13H2,1-3H3