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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H30N4O3S3 MolecularWeight: 506.7043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N4O3S3/c1-4-17-9-5-11-19-21(17)24-23(32-19)26(14-8-13-25(2)3)22(28)18-10-6-15-27(18)33(29,30)20-12-7-16-31-20/h5,7,9,11-12,16,18H,4,6,8,10,13-15H2,1-3H3