N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C19H18ClN3O4S2 MolecularWeight: 451.94692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C19H18ClN3O4S2/c1-27-12-7-9-13(10-8-12)29(25,26)23-11-3-5-15(23)18(24)22-19-21-17-14(20)4-2-6-16(17)28-19/h2,4,6-10,15H,3,5,11H2,1H3,(H,21,22,24)