N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-diethylaminoethyl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C22H28N4O3S3 MolecularWeight: 492.67772

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O3S3/c1-3-24(4-2)14-15-25(22-23-17-9-5-6-11-19(17)31-22)21(27)18-10-7-13-26(18)32(28,29)20-12-8-16-30-20/h5-6,8-9,11-12,16,18H,3-4,7,10,13-15H2,1-2H3