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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O4S/c1-30(27,28)18-7-8-19(22)20(15-18)23-21(26)16-25-11-9-24(10-12-25)13-14-29-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,23,26)