2-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-3-methylsulfonyl-butanamide

Systemtic Name: 2-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methyl-3-methylsulfonyl-butanamide Openeye Name: 2-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-methyl-3-methylsulfonyl-butanamide CAS Name: 2-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-3-methylsulfonylbutanamide IUPAC Name: 2-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-methyl-3-methylsulfonylbutanamide Traditional Name: 2-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-3-mesyl-3-methyl-butyramide Formula: C27H39N3O8S2 MolecularWeight: 597.74386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O8S2/c1-18(2)15-30(40(35,36)20-11-12-23-24(14-20)38-17-37-23)16-22(31)21(13-19-9-7-6-8-10-19)29-26(32)25(28)27(3,4)39(5,33)34/h6-12,14,18,21-22,25,31H,13,15-17,28H2,1-5H3,(H,29,32)