N-(1-adamantyl)-4-(methylamino)-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-(1-adamantyl)-4-(methylamino)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(1-adamantyl)-4-(methylamino)-3-morpholinosulfonyl-benzamide CAS Name: N-(1-adamantyl)-4-(methylamino)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(1-adamantyl)-4-(methylamino)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(1-adamantyl)-4-(methylamino)-3-morpholinosulfonyl-benzamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H31N3O4S/c1-23-19-3-2-18(11-20(19)30(27,28)25-4-6-29-7-5-25)21(26)24-22-12-15-8-16(13-22)10-17(9-15)14-22/h2-3,11,15-17,23H,4-10,12-14H2,1H3,(H,24,26)