3-heptan-4-ylsulfonyl-N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-oxidanyl-propanamide

Systemtic Name: 3-heptan-4-ylsulfonyl-N-[4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-oxidanyl-propanamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-2-hydroxy-3-(1-propylbutylsulfonyl)propanamide CAS Name: 3-heptan-4-ylsulfonyl-2-hydroxy-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]propanamide IUPAC Name: 3-heptan-4-ylsulfonyl-2-hydroxy-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]propanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-2-hydroxy-3-(1-propylbutylsulfonyl)propionamide Formula: C28H42N2O6S MolecularWeight: 534.70788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O)O

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC(=CC=C2)OC)O)O

InChI

InChI=1S/C28H42N2O6S/c1-4-10-24(11-5-2)37(34,35)20-27(32)28(33)30-25(17-21-12-7-6-8-13-21)26(31)19-29-18-22-14-9-15-23(16-22)36-3/h6-9,12-16,24-27,29,31-32H,4-5,10-11,17-20H2,1-3H3,(H,30,33)