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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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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=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O4S2/c1-30-16-9-11-17(12-10-16)32(28,29)26-14-4-7-19(26)22(27)25-23-24-21-18-6-3-2-5-15(18)8-13-20(21)31-23/h2-3,5-6,8-13,19H,4,7,14H2,1H3,(H,24,25,27)