[(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [(2S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: (4-ethylpiperazino)-[(2S)-1-piazthiol-4-ylsulfonylpyrrolidin-2-yl]methanone Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H23N5O3S2/c1-2-20-9-11-21(12-10-20)17(23)14-6-4-8-22(14)27(24,25)15-7-3-5-13-16(15)19-26-18-13/h3,5,7,14H,2,4,6,8-12H2,1H3/t14-/m0/s1