butyl 4-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotoyl]amino]benzoic acid butyl ester Formula: C23H30N4O6S MolecularWeight: 490.5725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C23H30N4O6S/c1-3-4-13-33-23(30)17-5-7-18(8-6-17)25-22(29)16-9-11-27(12-10-16)34(31,32)19-14-20(21(24)28)26(2)15-19/h5-8,14-16H,3-4,9-13H2,1-2H3,(H2,24,28)(H,25,29)