N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-piperidin-1-ylsulfonyl-furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-piperidin-1-ylsulfonyl-furan-2-carboxamide Openeye Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-(1-piperidylsulfonyl)furan-2-carboxamide CAS Name: N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-5-(1-piperidinylsulfonyl)-2-furancarboxamide IUPAC Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide Traditional Name: N-[5-(isobutyrylamino)-2-methyl-phenyl]-5-piperidinosulfonyl-2-furamide Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC=C(O2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC=C(O2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O5S/c1-14(2)20(25)22-16-8-7-15(3)17(13-16)23-21(26)18-9-10-19(29-18)30(27,28)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,25)(H,23,26)