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

Systemtic Name: 3-azanyl-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide Openeye Name: 3-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]-2-methyl-benzamide CAS Name: 3-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide IUPAC Name: 3-amino-N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methylbenzamide Traditional Name: 3-amino-N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-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(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=C(C=CC=C1N)C(=O)NC(CC2=CC=CC=C2)C(CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O

InChI

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