3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(4-phenyl-1-piperazinyl)ethyl]propanamide IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide Traditional Name: N-[2-(4-phenylpiperazino)ethyl]-3-piazthiol-4-ylsulfonyl-propionamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S2/c27-20(9-16-31(28,29)19-8-4-7-18-21(19)24-30-23-18)22-10-11-25-12-14-26(15-13-25)17-5-2-1-3-6-17/h1-8H,9-16H2,(H,22,27)