ethyl 4-[4-[2-(3-methylphenoxy)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(3-methylphenoxy)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(3-methylphenoxy)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[2-(3-methylphenoxy)ethylamino]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3-methylphenoxy)ethylcarbamoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(3-methylphenoxy)ethylcarbamoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C23H29N3O6S/c1-3-31-22(27)19-7-9-21(10-8-19)33(29,30)26-14-12-25(13-15-26)23(28)24-11-16-32-20-6-4-5-18(2)17-20/h4-10,17H,3,11-16H2,1-2H3,(H,24,28)