2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-mesylpiperazino)phenyl]acetamide Formula: C20H21ClN4O4S2 MolecularWeight: 480.98814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C20H21ClN4O4S2/c1-31(27,28)25-10-8-24(9-11-25)16-5-3-15(4-6-16)22-19(26)13-30-20-23-17-12-14(21)2-7-18(17)29-20/h2-7,12H,8-11,13H2,1H3,(H,22,26)