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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H28N4O3S3 MolecularWeight: 492.67772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O3S3/c1-16-8-4-10-18-20(16)23-22(31-18)25(13-7-12-24(2)3)21(27)17-9-5-14-26(17)32(28,29)19-11-6-15-30-19/h4,6,8,10-11,15,17H,5,7,9,12-14H2,1-3H3