N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4,5-dimethyl-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=C(C2=C(C=C1)SC(=N2)N(CCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C22H28N4O3S3/c1-15-9-10-18-20(16(15)2)23-22(31-18)25(13-12-24(3)4)21(27)17-7-5-11-26(17)32(28,29)19-8-6-14-30-19/h6,8-10,14,17H,5,7,11-13H2,1-4H3