N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C21H23N3O4S2/c1-13-6-11-18-19(14(13)2)22-21(29-18)23-20(25)17-5-4-12-24(17)30(26,27)16-9-7-15(28-3)8-10-16/h6-11,17H,4-5,12H2,1-3H3,(H,22,23,25)