N-(2-adamantyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-adamantyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-adamantyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-adamantyl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-adamantyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-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)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H32N4O4S/c1-25-12-18(11-19(25)21(23)27)31(29,30)26-4-2-15(3-5-26)22(28)24-20-16-7-13-6-14(9-16)10-17(20)8-13/h11-17,20H,2-10H2,1H3,(H2,23,27)(H,24,28)