N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-morpholin-4-ylsulfonyl-propanamide

Systemtic Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-morpholin-4-ylsulfonyl-propanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-morpholinosulfonyl-propanamide CAS Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(4-morpholinylsulfonyl)propanamide IUPAC Name: N-[4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-morpholin-4-ylsulfonylpropanamide Traditional Name: N-[1-benzyl-3-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-morpholinosulfonyl-propionamide Formula: C30H43N3O9S2 MolecularWeight: 653.80712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)N2CCOCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)N2CCOCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C30H43N3O9S2/c1-22(2)19-33(44(38,39)25-9-10-28-29(18-25)42-16-15-41-28)20-27(34)26(17-24-7-5-4-6-8-24)31-30(35)23(3)21-43(36,37)32-11-13-40-14-12-32/h4-10,18,22-23,26-27,34H,11-17,19-21H2,1-3H3,(H,31,35)