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

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide hydrochloride Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide hydrochloride CAS Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide hydrochloride Traditional Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide hydrochloride Formula: C21H27ClN4O3S3 MolecularWeight: 515.11208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S3.ClH/c1-15-7-4-9-17-19(15)22-21(30-17)24(13-12-23(2)3)20(26)16-8-5-11-25(16)31(27,28)18-10-6-14-29-18;/h4,6-7,9-10,14,16H,5,8,11-13H2,1-3H3;1H