(2S)-N-aminocarbonyl-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-carbamoyl-propanamide CAS Name: (2S)-N-carbamoyl-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-carbamoylpropanamide Traditional Name: (2S)-2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-carbamoyl-propionamide Formula: C20H25N5O4S2 MolecularWeight: 463.5736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O4S2/c1-15(19(26)23-20(21)27)30-18-8-7-17(13-22-18)31(28,29)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H3,21,23,26,27)/t15-/m0/s1