N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C24H32N4O4S3 MolecularWeight: 536.73028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H32N4O4S3/c1-4-26(5-2)14-15-27(24-25-19-12-11-18(32-6-3)17-21(19)34-24)23(29)20-9-7-13-28(20)35(30,31)22-10-8-16-33-22/h8,10-12,16-17,20H,4-7,9,13-15H2,1-3H3