N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C20H23N5O5S3 MolecularWeight: 509.62212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N5O5S3/c1-22(2)10-11-23(20-21-15-8-7-14(25(27)28)13-17(15)32-20)19(26)16-5-3-9-24(16)33(29,30)18-6-4-12-31-18/h4,6-8,12-13,16H,3,5,9-11H2,1-2H3