[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid

Systemtic Name: [4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamic acid Openeye Name: [3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid CAS Name: [4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid IUPAC Name: [4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid Traditional Name: [3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)O)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H28N2O7S/c1-15(2)12-24(32(28,29)17-8-9-20-21(11-17)31-14-30-20)13-19(25)18(23-22(26)27)10-16-6-4-3-5-7-16/h3-9,11,15,18-19,23,25H,10,12-14H2,1-2H3,(H,26,27)