N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methoxy-N-methyl-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methoxy-N-methyl-3-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-15(21-23-17-8-4-5-9-19(17)30-21)24(2)22(26)16-10-11-18(29-3)20(14-16)31(27,28)25-12-6-7-13-25/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3