N-(1-adamantyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-adamantyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H32N4O4S/c1-25-13-18(9-19(25)20(23)27)31(29,30)26-4-2-17(3-5-26)21(28)24-22-10-14-6-15(11-22)8-16(7-14)12-22/h9,13-17H,2-8,10-12H2,1H3,(H2,23,27)(H,24,28)