2-azanyl-3-heptan-4-ylsulfonyl-N-(2-phenoxyethanoyl)propanamide

Systemtic Name: 2-azanyl-3-heptan-4-ylsulfonyl-N-(2-phenoxyethanoyl)propanamide Openeye Name: 2-amino-N-(2-phenoxyacetyl)-3-(1-propylbutylsulfonyl)propanamide CAS Name: 2-amino-3-heptan-4-ylsulfonyl-N-(1-oxo-2-phenoxyethyl)propanamide IUPAC Name: 2-amino-3-heptan-4-ylsulfonyl-N-(2-phenoxyacetyl)propanamide Traditional Name: 2-amino-N-(2-phenoxyacetyl)-3-(1-propylbutylsulfonyl)propionamide Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)COC1=CC=CC=C1)N

Isomeric SMILES

CCCC(CCC)S(=O)(=O)CC(C(=O)NC(=O)COC1=CC=CC=C1)N

InChI

InChI=1S/C18H28N2O5S/c1-3-8-15(9-4-2)26(23,24)13-16(19)18(22)20-17(21)12-25-14-10-6-5-7-11-14/h5-7,10-11,15-16H,3-4,8-9,12-13,19H2,1-2H3,(H,20,21,22)