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

Systemtic Name: 3-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide Openeye Name: 3-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-1-hydroxy-propyl]-2-methyl-benzamide CAS Name: 3-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide IUPAC Name: 3-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide Traditional Name: 3-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-1-hydroxy-propyl]-2-methyl-benzamide Formula: C29H35N3O6S MolecularWeight: 553.6697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)C(=O)NC(CCN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)(CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(=O)NC(CCN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCO3)(CC4=CC=CC=C4)O

InChI

InChI=1S/C29H35N3O6S/c1-20(2)18-32(39(35,36)23-12-13-26-27(16-23)38-19-37-26)15-14-29(34,17-22-8-5-4-6-9-22)31-28(33)24-10-7-11-25(30)21(24)3/h4-13,16,20,34H,14-15,17-19,30H2,1-3H3,(H,31,33)