(phenylmethyl) N-[4-(2-ethyl-2-methanoyl-hexyl)sulfonyl-3-(phenylmethyl)phenyl]carbamate

Systemtic Name: (phenylmethyl) N-[4-(2-ethyl-2-methanoyl-hexyl)sulfonyl-3-(phenylmethyl)phenyl]carbamate Openeye Name: benzyl N-[3-benzyl-4-(2-ethyl-2-formyl-hexyl)sulfonyl-phenyl]carbamate CAS Name: N-[4-(2-ethyl-2-formylhexyl)sulfonyl-3-(phenylmethyl)phenyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-benzyl-4-(2-ethyl-2-formylhexyl)sulfonylphenyl]carbamate Traditional Name: N-[3-benzyl-4-(2-ethyl-2-formyl-hexyl)sulfonyl-phenyl]carbamic acid benzyl ester Formula: C30H35NO5S MolecularWeight: 521.6676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3)C=O

Isomeric SMILES

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)CC3=CC=CC=C3)C=O

InChI

InChI=1S/C30H35NO5S/c1-3-5-18-30(4-2,22-32)23-37(34,35)28-17-16-27(20-26(28)19-24-12-8-6-9-13-24)31-29(33)36-21-25-14-10-7-11-15-25/h6-17,20,22H,3-5,18-19,21,23H2,1-2H3,(H,31,33)