(phenylmethyl) (3S)-4-(azocan-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-(azocan-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-4-(azocan-1-yl)-3-(2-naphthylsulfonylamino)-4-oxo-butanoate CAS Name: (3S)-4-(1-azocanyl)-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-(azocan-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoate Traditional Name: (3S)-4-(azocan-1-yl)-4-keto-3-(2-naphthylsulfonylamino)butyric acid benzyl ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C(CC(=O)OCC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H32N2O5S/c31-27(35-21-22-11-5-4-6-12-22)20-26(28(32)30-17-9-2-1-3-10-18-30)29-36(33,34)25-16-15-23-13-7-8-14-24(23)19-25/h4-8,11-16,19,26,29H,1-3,9-10,17-18,20-21H2/t26-/m0/s1