[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-morpholinosulfonyl-phenyl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(4-methoxy-3-morpholinosulfonyl-phenyl)methanone Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H25N3O5S2/c1-30-19-9-8-16(15-21(19)33(28,29)25-11-13-31-14-12-25)23(27)26-10-4-6-18(26)22-24-17-5-2-3-7-20(17)32-22/h2-3,5,7-9,15,18H,4,6,10-14H2,1H3