N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide

Systemtic Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonyl-phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Openeye Name: N-[2-(diethylamino)-5-(1-piperidylsulfonyl)phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide CAS Name: N-[2-(diethylamino)-5-(1-piperidinylsulfonyl)phenyl]-1-methyl-4-nitro-2-pyrrolecarboxamide IUPAC Name: N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-methyl-4-nitropyrrole-2-carboxamide Traditional Name: N-[2-(diethylamino)-5-piperidinosulfonyl-phenyl]-1-methyl-4-nitro-pyrrole-2-carboxamide Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O5S/c1-4-24(5-2)19-10-9-17(32(30,31)25-11-7-6-8-12-25)14-18(19)22-21(27)20-13-16(26(28)29)15-23(20)3/h9-10,13-15H,4-8,11-12H2,1-3H3,(H,22,27)