phenyl 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: phenyl 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: phenyl 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxylic acid phenyl ester IUPAC Name: phenyl 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotic acid phenyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O5S/c1-20-12-15(11-16(20)17(19)22)27(24,25)21-9-7-13(8-10-21)18(23)26-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H2,19,22)