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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H30N4O4S3 MolecularWeight: 522.7037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N4O4S3/c1-4-31-17-10-11-18-20(16-17)33-23(24-18)26(13-7-12-25(2)3)22(28)19-8-5-14-27(19)34(29,30)21-9-6-15-32-21/h6,9-11,15-16,19H,4-5,7-8,12-14H2,1-3H3