N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholino-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholino-5-piperidinosulfonyl-benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

InChI

InChI=1S/C26H35N3O4S/c1-19-7-8-20(2)23(17-19)21(3)27-26(30)24-18-22(34(31,32)29-11-5-4-6-12-29)9-10-25(24)28-13-15-33-16-14-28/h7-10,17-18,21H,4-6,11-16H2,1-3H3,(H,27,30)