N-(1-adamantyl)-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-(1-adamantyl)-4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-(1-adamantyl)-4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanamide CAS Name: N-(1-adamantyl)-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide IUPAC Name: N-(1-adamantyl)-4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanamide Traditional Name: N-(1-adamantyl)-4-(3-chloro-N-mesyl-4-methoxy-anilino)butyramide Formula: C22H31ClN2O4S MolecularWeight: 455.01054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H31ClN2O4S/c1-29-20-6-5-18(11-19(20)23)25(30(2,27)28)7-3-4-21(26)24-22-12-15-8-16(13-22)10-17(9-15)14-22/h5-6,11,15-17H,3-4,7-10,12-14H2,1-2H3,(H,24,26)