N-(5-chloranyl-2-methyl-1,3-benzoxazol-6-yl)-2-(3-pentadecylphenyl)sulfonyl-propanamide

Systemtic Name: N-(5-chloranyl-2-methyl-1,3-benzoxazol-6-yl)-2-(3-pentadecylphenyl)sulfonyl-propanamide Openeye Name: N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(3-pentadecylphenyl)sulfonyl-propanamide CAS Name: N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(3-pentadecylphenyl)sulfonylpropanamide IUPAC Name: N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(3-pentadecylphenyl)sulfonylpropanamide Traditional Name: N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(3-pentadecylphenyl)sulfonyl-propionamide Formula: C32H45ClN2O4S MolecularWeight: 589.2287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)C(C)C(=O)NC2=C(C=C3C(=C2)OC(=N3)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)C(C)C(=O)NC2=C(C=C3C(=C2)OC(=N3)C)Cl

InChI

InChI=1S/C32H45ClN2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-27(21-26)40(37,38)24(2)32(36)35-29-23-31-30(22-28(29)33)34-25(3)39-31/h17,19-24H,4-16,18H2,1-3H3,(H,35,36)