2-(3-methylphenoxy)ethyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 2-(3-methylphenoxy)ethyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 2-(3-methylphenoxy)ethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid 2-(3-methylphenoxy)ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H26N2O6S/c1-17-4-3-5-20(16-17)29-14-15-30-22(26)19-6-8-21(9-7-19)31(27,28)24-12-10-23(11-13-24)18(2)25/h3-9,16H,10-15H2,1-2H3