2-[(E)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)vinyl]-1,3-benzothiazole CAS Name: 2-[(E)-2-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]ethenyl]-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)vinyl]-1,3-benzothiazole Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N2O3S2/c1-25-17-10-8-15(14-19(17)27(23,24)22-12-4-5-13-22)9-11-20-21-16-6-2-3-7-18(16)26-20/h2-3,6-11,14H,4-5,12-13H2,1H3/b11-9+