[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-(2-methyl-5-methylsulfonylphenyl)methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone Traditional Name: (5-mesyl-2-methyl-phenyl)-(4-o-phenetylpiperazino)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-27-20-8-6-5-7-19(20)22-11-13-23(14-12-22)21(24)18-15-17(28(3,25)26)10-9-16(18)2/h5-10,15H,4,11-14H2,1-3H3