N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(5-cyano-2,2-dimethyl-pentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(3-azanyl-2-oxidanyl-4-phenyl-butyl)-N-(5-cyano-2,2-dimethyl-pentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-(5-cyano-2,2-dimethyl-pentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(5-cyano-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(3-amino-2-hydroxy-4-phenylbutyl)-N-(5-cyano-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(3-amino-2-hydroxy-4-phenyl-butyl)-N-(5-cyano-2,2-dimethyl-pentyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C26H35N3O5S MolecularWeight: 501.6382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC#N)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(CCCC#N)CN(CC(C(CC1=CC=CC=C1)N)O)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C26H35N3O5S/c1-26(2,12-6-7-13-27)19-29(18-23(30)22(28)16-20-8-4-3-5-9-20)35(31,32)21-10-11-24-25(17-21)34-15-14-33-24/h3-5,8-11,17,22-23,30H,6-7,12,14-16,18-19,28H2,1-2H3