N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O3S2/c1-15-8-11-17(12-9-15)31(28,29)26-14-4-7-19(26)22(27)25-23-24-21-18-6-3-2-5-16(18)10-13-20(21)30-23/h2-3,5-6,8-13,19H,4,7,14H2,1H3,(H,24,25,27)