N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide hydrochloride

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide hydrochloride Formula: C22H29ClN4O3S3 MolecularWeight: 529.13866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4.Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CCN(C)C)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4.Cl

InChI

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