N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(2-ethoxyphenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-(4-o-phenetylpiperazino)acetamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H26ClN3O4S/c1-3-29-20-7-5-4-6-19(20)25-12-10-24(11-13-25)15-21(26)23-18-14-16(30(2,27)28)8-9-17(18)22/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)