N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C24H32N4O3S3 MolecularWeight: 520.73088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(CC)CC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(CC)CC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H32N4O3S3/c1-4-18-10-7-12-20-22(18)25-24(33-20)27(16-15-26(5-2)6-3)23(29)19-11-8-14-28(19)34(30,31)21-13-9-17-32-21/h7,9-10,12-13,17,19H,4-6,8,11,14-16H2,1-3H3