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

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide hydrochloride Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide hydrochloride CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide hydrochloride Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide hydrochloride Formula: C21H26Cl2N4O3S3 MolecularWeight: 549.55714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S3.ClH/c1-14-8-9-15(22)19-18(14)23-21(31-19)25(12-11-24(2)3)20(27)16-6-4-10-26(16)32(28,29)17-7-5-13-30-17;/h5,7-9,13,16H,4,6,10-12H2,1-3H3;1H