N-[3-[methyl-(phenylmethyl)amino]propyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-4-(1-piperidylsulfonyl)-1H-pyrrole-2-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-4-(1-piperidinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-4-piperidinosulfonyl-1H-pyrrole-2-carboxamide Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCCNC(=O)C1=CC(=CN1)S(=O)(=O)N2CCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3S/c1-24(17-18-9-4-2-5-10-18)12-8-11-22-21(26)20-15-19(16-23-20)29(27,28)25-13-6-3-7-14-25/h2,4-5,9-10,15-16,23H,3,6-8,11-14,17H2,1H3,(H,22,26)