tert-butyl 2-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazin-1-yl]acetate CAS Name: 2-[4-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperazino]acetic acid tert-butyl ester Formula: C16H26N4O5S MolecularWeight: 386.46644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C

InChI

InChI=1S/C16H26N4O5S/c1-16(2,3)25-14(21)11-19-5-7-20(8-6-19)26(23,24)12-9-13(15(17)22)18(4)10-12/h9-10H,5-8,11H2,1-4H3,(H2,17,22)