3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide

Systemtic Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide Openeye Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide CAS Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-N-[(1S)-1-phenylethyl]propanamide IUPAC Name: 3-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide Traditional Name: N-[(1S)-1-phenylethyl]-3-(4-piazthiol-4-ylsulfonylpiperazino)propionamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CCN2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H25N5O3S2/c1-16(17-6-3-2-4-7-17)22-20(27)10-11-25-12-14-26(15-13-25)31(28,29)19-9-5-8-18-21(19)24-30-23-18/h2-9,16H,10-15H2,1H3,(H,22,27)/t16-/m0/s1