N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethylpentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate IUPAC Name: N-[4-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethylpentyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl-(5-cyano-2,2-dimethyl-pentyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate Formula: C26H32N3O7S- MolecularWeight: 530.61318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)[O-])O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(CCCC#N)CN(CC(C(CC1=CC=CC=C1)NC(=O)[O-])O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C26H33N3O7S/c1-26(2,12-6-7-13-27)17-29(37(33,34)20-10-11-23-24(15-20)36-18-35-23)16-22(30)21(28-25(31)32)14-19-8-4-3-5-9-19/h3-5,8-11,15,21-22,28,30H,6-7,12,14,16-18H2,1-2H3,(H,31,32)/p-1