(3S)-4-(azocan-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(azocan-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(azocan-1-yl)-3-(2-naphthylsulfonylamino)-4-oxo-butanoic acid CAS Name: (3S)-4-(1-azocanyl)-3-(2-naphthalenylsulfonylamino)-4-oxobutanoic acid IUPAC Name: (3S)-4-(azocan-1-yl)-3-(naphthalen-2-ylsulfonylamino)-4-oxobutanoic acid Traditional Name: (3S)-4-(azocan-1-yl)-4-keto-3-(2-naphthylsulfonylamino)butyric acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCCN(CCC1)C(=O)[C@H](CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O5S/c24-20(25)15-19(21(26)23-12-6-2-1-3-7-13-23)22-29(27,28)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14,19,22H,1-3,6-7,12-13,15H2,(H,24,25)/t19-/m0/s1