(3-ethoxy-4-methoxy-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-ethoxy-4-methoxy-phenyl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(3-ethoxy-4-methoxy-phenyl)methanone CAS Name: (3-ethoxy-4-methoxyphenyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(3-ethoxy-4-methoxyphenyl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(3-ethoxy-4-methoxy-phenyl)methanone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O5S/c1-3-28-20-15-18(9-10-19(20)27-2)21(24)22-11-13-23(14-12-22)29(25,26)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3