ethyl 4-[2-(4-methylpiperazin-1-yl)carbonylpyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[2-(4-methylpiperazin-1-yl)carbonylpyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[2-(4-methylpiperazine-1-carbonyl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C19H27N3O5S/c1-3-27-19(24)15-6-8-16(9-7-15)28(25,26)22-10-4-5-17(22)18(23)21-13-11-20(2)12-14-21/h6-9,17H,3-5,10-14H2,1-2H3